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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

35500603
35500603

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(5-bromo-2-chloro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(5-bromo-2-chloro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 6.54 -54.59 3 4 1 63 368.638 3 ↓
Hi High (pH 8-9.5) 4.36 3.06 -45.8 1 4 -1 61 366.622 3 ↓
Mid Mid (pH 6-8) 4.36 3.91 -73.61 2 4 0 66 367.63 3 ↓

Analogs

35500602
35500602

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(5-bromo-2-chloro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(5-bromo-2-chloro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 6.42 -54.39 3 4 1 63 368.638 3 ↓
Hi High (pH 8-9.5) 4.36 2.94 -47.36 1 4 -1 61 366.622 3 ↓
Mid Mid (pH 6-8) 4.36 3.79 -73.26 2 4 0 66 367.63 3 ↓

Analogs

35500607
35500607

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3-bromo-5-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3-bromo-5-fluoro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 6.22 -60.89 3 4 1 63 352.183 3 ↓
Hi High (pH 8-9.5) 3.85 2.61 -45.78 1 4 -1 61 350.167 3 ↓
Mid Mid (pH 6-8) 3.85 3.59 -78.62 2 4 0 66 351.175 3 ↓

Analogs

35500606
35500606

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3-bromo-5-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3-bromo-5-fluoro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 6.22 -61.05 3 4 1 63 352.183 3 ↓
Hi High (pH 8-9.5) 3.85 2.58 -47.09 1 4 -1 61 350.167 3 ↓
Mid Mid (pH 6-8) 3.85 3.59 -78.8 2 4 0 66 351.175 3 ↓

Analogs

35500617
35500617

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2,4-dichlorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2,4-dichlorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 6.42 -60.24 3 4 1 63 324.187 3 ↓
Hi High (pH 8-9.5) 4.23 2.95 -46.75 1 4 -1 61 322.171 3 ↓
Mid Mid (pH 6-8) 4.23 3.79 -79.51 2 4 0 66 323.179 3 ↓

Analogs

35500616
35500616

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2,4-dichlorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2,4-dichlorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 6.31 -59.83 3 4 1 63 324.187 3 ↓
Hi High (pH 8-9.5) 4.23 2.84 -48.68 1 4 -1 61 322.171 3 ↓
Mid Mid (pH 6-8) 4.23 3.68 -78.74 2 4 0 66 323.179 3 ↓

Analogs

35500619
35500619

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2-chlorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2-chlorophenyl)-(methyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 5.91 -55.97 3 4 1 63 289.742 3 ↓
Hi High (pH 8-9.5) 3.58 2.44 -47.79 1 4 -1 61 287.726 3 ↓
Mid Mid (pH 6-8) 3.58 3.28 -76.53 2 4 0 66 288.734 3 ↓

Analogs

35500618
35500618

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2-chlorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2-chlorophenyl)-(methyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 5.8 -55.67 3 4 1 63 289.742 3 ↓
Hi High (pH 8-9.5) 3.58 2.33 -49.69 1 4 -1 61 287.726 3 ↓
Mid Mid (pH 6-8) 3.58 3.17 -75.85 2 4 0 66 288.734 3 ↓

Analogs

35500621
35500621

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-methylamino(phenyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-methylamino(phenyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.54 -54.8 3 4 1 63 255.297 3 ↓
Hi High (pH 8-9.5) 2.95 1.89 -47.83 1 4 -1 61 253.281 3 ↓
Mid Mid (pH 6-8) 2.95 2.91 -74.21 2 4 0 66 254.289 3 ↓

Analogs

35500620
35500620

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-methylamino(phenyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-methylamino(phenyl)methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.54 -54.63 3 4 1 63 255.297 3 ↓
Hi High (pH 8-9.5) 2.95 1.91 -46.49 1 4 -1 61 253.281 3 ↓
Mid Mid (pH 6-8) 2.95 2.91 -74.05 2 4 0 66 254.289 3 ↓

Analogs

35500645
35500645

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3-iodophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3-iodophenyl)-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 6.63 -59.58 3 4 1 63 381.193 3 ↓
Hi High (pH 8-9.5) 4.01 2.99 -47.99 1 4 -1 61 379.177 3 ↓
Mid Mid (pH 6-8) 4.01 4 -77.98 2 4 0 66 380.185 3 ↓

Analogs

35500644
35500644

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3-iodophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3-iodophenyl)-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 6.63 -59.37 3 4 1 63 381.193 3 ↓
Hi High (pH 8-9.5) 4.01 3 -46.57 1 4 -1 61 379.177 3 ↓
Mid Mid (pH 6-8) 4.01 4 -77.83 2 4 0 66 380.185 3 ↓

Analogs

35500647
35500647

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(4-iodophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(4-iodophenyl)-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 6.64 -59.95 3 4 1 63 381.193 3 ↓
Hi High (pH 8-9.5) 4.03 2.99 -47.33 1 4 -1 61 379.177 3 ↓
Mid Mid (pH 6-8) 4.03 4.01 -78.03 2 4 0 66 380.185 3 ↓

Analogs

35500646
35500646

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(4-iodophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(4-iodophenyl)-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 6.64 -59.82 3 4 1 63 381.193 3 ↓
Hi High (pH 8-9.5) 4.03 3.01 -45.93 1 4 -1 61 379.177 3 ↓
Mid Mid (pH 6-8) 4.03 4.01 -77.9 2 4 0 66 380.185 3 ↓

Analogs

35500661
35500661

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(4-bromo-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(4-bromo-2-fluoro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 6.34 -61.52 3 4 1 63 352.183 3 ↓
Hi High (pH 8-9.5) 3.85 2.78 -47.53 1 4 -1 61 350.167 3 ↓
Mid Mid (pH 6-8) 3.85 3.71 -81.15 2 4 0 66 351.175 3 ↓

Analogs

35500660
35500660

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(4-bromo-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(4-bromo-2-fluoro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 6.2 -61.2 3 4 1 63 352.183 3 ↓
Hi High (pH 8-9.5) 3.85 2.73 -49.38 1 4 -1 61 350.167 3 ↓
Mid Mid (pH 6-8) 3.85 3.57 -80.45 2 4 0 66 351.175 3 ↓

Analogs

35500663
35500663

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3-bromophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3-bromophenyl)-(methylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 6.15 -59.56 3 4 1 63 334.193 3 ↓
Hi High (pH 8-9.5) 3.73 2.51 -48.24 1 4 -1 61 332.177 3 ↓
Mid Mid (pH 6-8) 3.73 3.52 -78.19 2 4 0 66 333.185 3 ↓

Analogs

35500662
35500662

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3-bromophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3-bromophenyl)-(methylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 6.15 -59.46 3 4 1 63 334.193 3 ↓
Hi High (pH 8-9.5) 3.73 2.52 -46.83 1 4 -1 61 332.177 3 ↓
Mid Mid (pH 6-8) 3.73 3.52 -78.05 2 4 0 66 333.185 3 ↓

Analogs

35500665
35500665

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(5-bromo-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(5-bromo-2-fluoro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 6.34 -55.72 3 4 1 63 352.183 3 ↓
Hi High (pH 8-9.5) 3.85 2.77 -46.5 1 4 -1 61 350.167 3 ↓
Mid Mid (pH 6-8) 3.85 3.71 -75.15 2 4 0 66 351.175 3 ↓

Analogs

35500664
35500664

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(5-bromo-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(5-bromo-2-fluoro-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 6.2 -55.58 3 4 1 63 352.183 3 ↓
Hi High (pH 8-9.5) 3.85 2.71 -48.05 1 4 -1 61 350.167 3 ↓
Mid Mid (pH 6-8) 3.85 3.57 -74.82 2 4 0 66 351.175 3 ↓

Analogs

35500667
35500667

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2-iodophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2-iodophenyl)-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 6.32 -55.62 3 4 1 63 381.193 3 ↓
Hi High (pH 8-9.5) 3.98 2.82 -47.23 1 4 -1 61 379.177 3 ↓
Mid Mid (pH 6-8) 3.98 3.69 -75.66 2 4 0 66 380.185 3 ↓

Analogs

35500666
35500666

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2-iodophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2-iodophenyl)-(methylami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 6.2 -55.37 3 4 1 63 381.193 3 ↓
Hi High (pH 8-9.5) 3.98 2.7 -49.22 1 4 -1 61 379.177 3 ↓
Mid Mid (pH 6-8) 3.98 3.57 -75.06 2 4 0 66 380.185 3 ↓

Analogs

35500669
35500669
35500770
35500770
35500771
35500771

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(4-ethylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(4-ethylphenyl)-(methylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 6.98 -55.08 3 4 1 63 283.351 4 ↓
Hi High (pH 8-9.5) 3.86 3.32 -46.57 1 4 -1 61 281.335 4 ↓
Mid Mid (pH 6-8) 3.86 4.35 -74.28 2 4 0 66 282.343 4 ↓

Analogs

35500770
35500770
35500771
35500771
35500668
35500668

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(4-ethylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(4-ethylphenyl)-(methylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 6.98 -54.78 3 4 1 63 283.351 4 ↓
Hi High (pH 8-9.5) 3.86 3.39 -47.73 1 4 -1 61 281.335 4 ↓
Mid Mid (pH 6-8) 3.86 4.35 -74.01 2 4 0 66 282.343 4 ↓

Analogs

35500671
35500671

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2,5-dimethylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2,5-dimethylphenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 6.59 -54.94 3 4 1 63 283.351 3 ↓
Hi High (pH 8-9.5) 3.77 3.23 -46.39 1 4 -1 61 281.335 3 ↓
Mid Mid (pH 6-8) 3.77 3.96 -74.22 2 4 0 66 282.343 3 ↓

Analogs

35500670
35500670

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2,5-dimethylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2,5-dimethylphenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 6.45 -52.54 3 4 1 63 283.351 3 ↓
Hi High (pH 8-9.5) 3.77 2.85 -48.41 1 4 -1 61 281.335 3 ↓
Mid Mid (pH 6-8) 3.77 3.82 -71.97 2 4 0 66 282.343 3 ↓

Analogs

35500673
35500673

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(5-chloro-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(5-chloro-2-fluoro-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 6.24 -55.98 3 4 1 63 307.732 3 ↓
Hi High (pH 8-9.5) 3.72 2.67 -46.61 1 4 -1 61 305.716 3 ↓
Mid Mid (pH 6-8) 3.72 3.61 -75.55 2 4 0 66 306.724 3 ↓

Analogs

35500672
35500672

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(5-chloro-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(5-chloro-2-fluoro-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 6.09 -55.79 3 4 1 63 307.732 3 ↓
Hi High (pH 8-9.5) 3.72 2.61 -48.16 1 4 -1 61 305.716 3 ↓
Mid Mid (pH 6-8) 3.72 3.47 -75.18 2 4 0 66 306.724 3 ↓

Analogs

35500675
35500675

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(4-chloro-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(4-chloro-2-fluoro-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 6.24 -61.46 3 4 1 63 307.732 3 ↓
Hi High (pH 8-9.5) 3.72 2.68 -47.64 1 4 -1 61 305.716 3 ↓
Mid Mid (pH 6-8) 3.72 3.61 -81.22 2 4 0 66 306.724 3 ↓

Analogs

35500674
35500674

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(4-chloro-2-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(4-chloro-2-fluoro-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 6.1 -61.02 3 4 1 63 307.732 3 ↓
Hi High (pH 8-9.5) 3.72 2.63 -49.51 1 4 -1 61 305.716 3 ↓
Mid Mid (pH 6-8) 3.72 3.47 -80.49 2 4 0 66 306.724 3 ↓

Analogs

35500677
35500677

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Popular Name: 6-[(S)-(3,4-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3,4-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.66 -66.9 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.20 2.05 -48.31 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.20 3.03 -84.69 2 4 0 66 290.269 3 ↓

Analogs

35500676
35500676

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3,4-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3,4-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.66 -66.95 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.20 2.02 -49.73 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.20 3.03 -84.71 2 4 0 66 290.269 3 ↓

Analogs

35500685
35500685
35500722
35500722
35500723
35500723

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3,5-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.67 -61.76 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.20 2.06 -46.17 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.20 3.04 -79.61 2 4 0 66 290.269 3 ↓

Analogs

35500722
35500722
35500723
35500723
35500684
35500684

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3,5-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3,5-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.67 -61.9 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.20 2.03 -47.45 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.20 3.04 -79.72 2 4 0 66 290.269 3 ↓

Analogs

35500689
35500689
35500712
35500712
35500713
35500713

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2,6-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2,6-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 5.52 -45.11 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.18 2.23 -47.57 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.18 2.9 -65 2 4 0 66 290.269 3 ↓

Analogs

35500712
35500712
35500713
35500713
35500688
35500688

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2,6-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2,6-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 5.55 -45.35 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.18 2.29 -48.95 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.18 2.92 -65.26 2 4 0 66 290.269 3 ↓

Analogs

35500695
35500695

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2-chloro-4-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 5.98 -61.2 3 4 1 63 307.732 3 ↓
Hi High (pH 8-9.5) 3.72 2.51 -47.16 1 4 -1 61 305.716 3 ↓
Mid Mid (pH 6-8) 3.72 3.35 -80.65 2 4 0 66 306.724 3 ↓

Analogs

35500694
35500694

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2-chloro-4-fluoro-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 5.86 -60.7 3 4 1 63 307.732 3 ↓
Hi High (pH 8-9.5) 3.72 2.39 -49.05 1 4 -1 61 305.716 3 ↓
Mid Mid (pH 6-8) 3.72 3.25 -79.79 2 4 0 66 306.724 3 ↓

Analogs

35500697
35500697

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2,4-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2,4-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.78 -62.41 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.20 2.22 -47.9 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.20 3.16 -82.4 2 4 0 66 290.269 3 ↓

Analogs

35500696
35500696

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2,4-difluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2,4-difluorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.63 -62 3 4 1 63 291.277 3 ↓
Hi High (pH 8-9.5) 3.20 2.17 -49.88 1 4 -1 61 289.261 3 ↓
Mid Mid (pH 6-8) 3.20 3.02 -81.59 2 4 0 66 290.269 3 ↓

Analogs

35500703
35500703
35500732
35500732
35500733
35500733

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3,5-dimethylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3,5-dimethylphenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 6.86 -55.14 3 4 1 63 283.351 3 ↓
Hi High (pH 8-9.5) 3.77 3.17 -46.7 1 4 -1 61 281.335 3 ↓
Mid Mid (pH 6-8) 3.77 4.23 -74 2 4 0 66 282.343 3 ↓

Analogs

35500732
35500732
35500733
35500733
35500702
35500702

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3,5-dimethylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3,5-dimethylphenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 6.86 -54.83 3 4 1 63 283.351 3 ↓
Hi High (pH 8-9.5) 3.77 3.27 -48 1 4 -1 61 281.335 3 ↓
Mid Mid (pH 6-8) 3.77 4.23 -73.63 2 4 0 66 282.343 3 ↓

Analogs

35500707
35500707

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3-methoxyphenyl)-(methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 4.82 -57.09 3 5 1 72 285.323 4 ↓
Hi High (pH 8-9.5) 2.98 1.18 -49.94 1 5 -1 70 283.307 4 ↓
Mid Mid (pH 6-8) 2.98 2.2 -76.56 2 5 0 75 284.315 4 ↓

Analogs

35500706
35500706

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3-methoxyphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3-methoxyphenyl)-(methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 4.82 -56.92 3 5 1 72 285.323 4 ↓
Hi High (pH 8-9.5) 2.98 1.2 -48.7 1 5 -1 70 283.307 4 ↓
Mid Mid (pH 6-8) 2.98 2.2 -76.44 2 5 0 75 284.315 4 ↓

Analogs

35500711
35500711

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3,4-dichlorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3,4-dichlorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 6.5 -63.92 3 4 1 63 324.187 3 ↓
Hi High (pH 8-9.5) 4.23 2.89 -46.87 1 4 -1 61 322.171 3 ↓
Mid Mid (pH 6-8) 4.23 3.88 -81.65 2 4 0 66 323.179 3 ↓

Analogs

35500710
35500710

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3,4-dichlorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3,4-dichlorophenyl)-(met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 6.5 -64.05 3 4 1 63 324.187 3 ↓
Hi High (pH 8-9.5) 4.23 2.86 -48.26 1 4 -1 61 322.171 3 ↓
Mid Mid (pH 6-8) 4.23 3.88 -81.73 2 4 0 66 323.179 3 ↓

Analogs

35500713
35500713
35500688
35500688
35500689
35500689

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2-fluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(2-fluorophenyl)-(methyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 5.72 -57.06 3 4 1 63 273.287 3 ↓
Hi High (pH 8-9.5) 3.06 2.16 -48.92 1 4 -1 61 271.271 3 ↓
Mid Mid (pH 6-8) 3.06 3.09 -78.07 2 4 0 66 272.279 3 ↓

Analogs

35500688
35500688
35500689
35500689
35500712
35500712

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(2-fluorophenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(2-fluorophenyl)-(methyla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 5.58 -56.77 3 4 1 63 273.287 3 ↓
Hi High (pH 8-9.5) 3.06 2.11 -50.69 1 4 -1 61 271.271 3 ↓
Mid Mid (pH 6-8) 3.06 2.95 -77.42 2 4 0 66 272.279 3 ↓

Analogs

35500719
35500719

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-(3-fluoro-4-methyl-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-(3-fluoro-4-methyl-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 6.25 -57.44 3 4 1 63 287.314 3 ↓
Hi High (pH 8-9.5) 3.49 2.59 -46.95 1 4 -1 61 285.298 3 ↓
Mid Mid (pH 6-8) 3.49 3.62 -75.98 2 4 0 66 286.306 3 ↓

Analogs

35500718
35500718

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(3-fluoro-4-methyl-phenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-(3-fluoro-4-methyl-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 6.24 -57.18 3 4 1 63 287.314 3 ↓
Hi High (pH 8-9.5) 3.49 2.66 -48.23 1 4 -1 61 285.298 3 ↓
Mid Mid (pH 6-8) 3.49 3.62 -75.76 2 4 0 66 286.306 3 ↓

Parameters Provided:

ring.id = 18178
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 18178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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