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Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-cyclohexyl-2-[[4-(diethyl…

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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) 5.98 12.11 -48.1 1 5 0 47 447.599 5 ↓
Mid Mid (pH 6-8) 5.98 12.01 -8.17 0 5 0 46 446.591 5 ↓
Mid Mid (pH 6-8) 5.98 14.9 -101.96 2 5 0 48 448.607 5 ↓

Analogs

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Popular Name: (2E)-8-cyclohexyl-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-[[4-(diethyl…

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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) 5.61 11.12 -41.55 1 5 0 47 433.572 5 ↓
Mid Mid (pH 6-8) 5.61 11.01 -8.06 0 5 0 46 432.564 5 ↓
Lo Low (pH 4.5-6) 5.61 14.09 -88.84 2 5 0 48 434.58 5 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-4-methyl-2-(p-…

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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) 5.58 10.39 -7.25 0 4 0 43 389.495 2 ↓
Mid Mid (pH 6-8) 5.58 13.17 -43.86 1 4 1 44 390.503 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(4-fluoroph…

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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) 5.29 9.8 -7.25 0 4 0 43 393.458 2 ↓
Mid Mid (pH 6-8) 5.29 12.56 -44.98 1 4 1 44 394.466 2 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-chlorophenyl)methylen…

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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) 5.81 10.23 -6.74 0 4 0 43 409.913 2 ↓
Mid Mid (pH 6-8) 5.81 13.01 -44.43 1 4 1 44 410.921 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(2,4-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-cyclohexyl-2-[(2,4-dichlo…

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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) 6.41 10.46 -5.39 0 4 0 43 444.358 2 ↓
Mid Mid (pH 6-8) 6.41 13.44 -46.71 1 4 1 44 445.366 2 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-chlorophenyl)methylen…

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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) 5.76 9.94 -7.05 0 4 0 43 409.913 2 ↓
Mid Mid (pH 6-8) 5.76 12.91 -47.07 1 4 1 44 410.921 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(2-fluoroph…

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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) 5.25 9.56 -7.54 0 4 0 43 393.458 2 ↓
Mid Mid (pH 6-8) 5.25 12.54 -47.91 1 4 1 44 394.466 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(2-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclohexyl-2-[(2-methoxyp…

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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) 5.14 8.87 -8.51 0 5 0 52 405.494 3 ↓
Mid Mid (pH 6-8) 5.14 11.85 -46.28 1 5 1 53 406.502 3 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclohexyl-2-[(3,4-dimeth…

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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) 4.78 8.75 -9.96 0 6 0 61 435.52 4 ↓
Mid Mid (pH 6-8) 4.78 11.73 -48.97 1 6 1 62 436.528 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-cyclohexyl-4-methyl-2-[(3…

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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) 4.76 8.66 -10.98 0 7 0 70 465.546 5 ↓
Mid Mid (pH 6-8) 4.76 11.6 -51.23 1 7 1 72 466.554 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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) 5.88 10.01 -8.44 0 4 0 43 427.903 2 ↓
Mid Mid (pH 6-8) 5.88 12.99 -42.92 1 4 1 44 428.911 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclohexyl-2-[(2,4-dimeth…

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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) 5.17 8.16 -9 0 6 0 61 435.52 4 ↓
Mid Mid (pH 6-8) 5.17 11.15 -48.16 1 6 1 62 436.528 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclohexyl-2-[(2,5-dimeth…

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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) 5.17 8.16 -9.63 0 6 0 61 435.52 4 ↓
Mid Mid (pH 6-8) 5.17 11.14 -43.19 1 6 1 62 436.528 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(4-isopropylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-cyclohexyl-2-[(4-isopropy…

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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) 6.64 11.63 -6.9 0 4 0 43 417.549 3 ↓
Mid Mid (pH 6-8) 6.64 14.41 -43.95 1 4 1 44 418.557 3 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-4-methyl-2-[(3…

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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) 5.06 10.23 -9.58 0 7 0 89 420.465 3 ↓
Mid Mid (pH 6-8) 5.06 13.21 -54.11 1 7 1 90 421.473 3 ↓

Analogs

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Popular Name: methyl 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) 5.30 10.36 -10.01 0 6 0 69 433.504 4 ↓
Mid Mid (pH 6-8) 5.30 13.13 -45.86 1 6 1 70 434.512 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(2,6-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-cyclohexyl-2-[(2,6-dichlo…

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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) 6.39 10.39 -7.42 0 4 0 43 444.358 2 ↓
Mid Mid (pH 6-8) 6.39 13.37 -42.16 1 4 1 44 445.366 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(4-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(4-ethoxyph…

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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) 5.56 9.95 -8.17 0 5 0 52 419.521 4 ↓
Mid Mid (pH 6-8) 5.56 12.73 -46.29 1 5 1 53 420.529 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(2-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(2-ethoxyph…

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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) 5.51 9.82 -8.27 0 5 0 52 419.521 4 ↓
Mid Mid (pH 6-8) 5.51 12.8 -46.19 1 5 1 53 420.529 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(4-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclohexyl-2-[(4-methoxyp…

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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) 5.19 9.03 -8.25 0 5 0 52 405.494 3 ↓
Mid Mid (pH 6-8) 5.19 11.81 -46.31 1 5 1 53 406.502 3 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(3-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclohexyl-2-[(3-methoxyp…

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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) 5.16 8.81 -8.83 0 5 0 52 405.494 3 ↓
Mid Mid (pH 6-8) 5.16 11.79 -41.41 1 5 1 53 406.502 3 ↓

Analogs

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Popular Name: (2Z)-2-benzylidene-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-benzylidene-8-cyclohexyl-…

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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) 5.13 9.51 -7.04 0 4 0 43 375.468 2 ↓
Mid Mid (pH 6-8) 5.13 12.49 -43.98 1 4 1 44 376.476 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-cyclohexyl-4-methyl-2-[(2…

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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) 4.76 8.05 -10.92 0 7 0 70 465.546 5 ↓
Mid Mid (pH 6-8) 4.76 11.08 -49.24 1 7 1 72 466.554 5 ↓

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(5-bromo-2-methoxy-pheny…

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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) 5.92 9.49 -7.88 0 5 0 52 484.39 3 ↓
Mid Mid (pH 6-8) 5.92 12.47 -42.33 1 5 1 53 485.398 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-bromophenyl)methylene…

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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) 5.89 10.02 -6.92 0 4 0 43 454.364 2 ↓
Mid Mid (pH 6-8) 5.89 13.01 -47.13 1 4 1 44 455.372 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(3-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(3-fluoroph…

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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) 5.27 9.58 -8.18 0 4 0 43 393.458 2 ↓
Mid Mid (pH 6-8) 5.27 12.57 -47.01 1 4 1 44 394.466 2 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(3-chlorophenyl)methylen…

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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) 5.78 10.03 -7.44 0 4 0 43 409.913 2 ↓
Mid Mid (pH 6-8) 5.78 13.02 -46.09 1 4 1 44 410.921 2 ↓

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(3-bromophenyl)methylene…

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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) 5.91 10.12 -7.46 0 4 0 43 454.364 2 ↓
Mid Mid (pH 6-8) 5.91 13.13 -46.17 1 4 1 44 455.372 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-(m-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-4-methyl-2-(m-…

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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) 5.55 10.18 -6.92 0 4 0 43 389.495 2 ↓
Mid Mid (pH 6-8) 5.55 13.16 -43.97 1 4 1 44 390.503 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-(o-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-4-methyl-2-(o-…

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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) 5.53 10.07 -6.84 0 4 0 43 389.495 2 ↓
Mid Mid (pH 6-8) 5.53 13.05 -43.73 1 4 1 44 390.503 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclohexyl-2-[(4-ethylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(4-ethylphe…

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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) 6.04 11.16 -7.05 0 4 0 43 403.522 3 ↓
Mid Mid (pH 6-8) 6.04 13.92 -43.86 1 4 1 44 404.53 3 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-2-[(4-tert-butylphenyl)meth…

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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) 6.84 12.03 -6.84 0 4 0 43 431.576 3 ↓
Mid Mid (pH 6-8) 6.84 14.81 -43.89 1 4 1 44 432.584 3 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-[(4-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-4-methyl-2-[(4…

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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) 5.09 10.43 -9.69 0 7 0 89 420.465 3 ↓
Mid Mid (pH 6-8) 5.09 13.2 -49.85 1 7 1 90 421.473 3 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-8-cyclohexyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-bromophenyl)methylene…

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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) 5.94 10.34 -6.61 0 4 0 43 454.364 2 ↓
Mid Mid (pH 6-8) 5.94 13.12 -44.38 1 4 1 44 455.372 2 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-8-cyclohexyl-2-[(3,4-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-cyclohexyl-2-[(3,4-dichlo…

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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) 6.41 10.49 -7.35 0 4 0 43 444.358 2 ↓
Mid Mid (pH 6-8) 6.41 13.48 -46.7 1 4 1 44 445.366 2 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-8-cyclohexyl-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclohexyl-2-[(2,3-dimeth…

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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) 4.95 8.87 -9.26 0 6 0 61 435.52 4 ↓
Mid Mid (pH 6-8) 4.95 11.85 -49.69 1 6 1 62 436.528 4 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-[(2,3,4-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-cyclohexyl-4-methyl-2-[(2…

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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) 4.96 8.82 -9.72 0 7 0 70 465.546 5 ↓
Mid Mid (pH 6-8) 4.96 11.8 -51.44 1 7 1 72 466.554 5 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-8-cyclohexyl-2-[(4-dimethylaminophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-cyclohexyl-2-[(4-dimethyl…

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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) 5.23 9.9 -8.48 0 5 0 46 418.537 3 ↓
Mid Mid (pH 6-8) 5.23 12.9 -44.53 1 5 1 47 419.545 3 ↓
Lo Low (pH 4.5-6) 5.23 13.66 -105.53 2 5 0 48 420.553 3 ↓

Analogs

12442504
12442504
12442614
12442614
12442616
12442616

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Popular Name: (2Z)-8-cyclohexyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-(p-tolylmeth…

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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) 5.20 9.74 -7.26 0 4 0 43 375.468 2 ↓
Mid Mid (pH 6-8) 5.20 12.52 -44.23 1 4 1 44 376.476 2 ↓

Analogs

12442504
12442504
12442506
12442506
12442614
12442614

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Popular Name: (2Z)-8-cyclohexyl-2-[(4-fluorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(4-fluoroph…

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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) 4.92 9.13 -7.28 0 4 0 43 379.431 2 ↓
Mid Mid (pH 6-8) 4.92 11.91 -45.28 1 4 1 44 380.439 2 ↓

Analogs

12442504
12442504
12442614
12442614
12442616
12442616

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-cyclohexyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-chlorophenyl)methylen…

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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) 5.43 9.58 -6.77 0 4 0 43 395.886 2 ↓
Mid Mid (pH 6-8) 5.43 12.36 -44.79 1 4 1 44 396.894 2 ↓

Analogs

12442504
12442504
8993000
8993000
8823641
8823641

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Popular Name: (2Z)-8-cyclohexyl-2-[(2,4-dichlorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(2,4-dichlo…

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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) 6.04 9.81 -5.44 0 4 0 43 430.331 2 ↓
Mid Mid (pH 6-8) 6.04 12.79 -47 1 4 1 44 431.339 2 ↓

Analogs

12442504
12442504

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Popular Name: (2E)-2-[(2-chlorophenyl)methylene]-8-cyclohexyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-2-[(2-chlorophenyl)methylen…

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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) 5.38 9.17 -6.1 0 4 0 43 395.886 2 ↓
Mid Mid (pH 6-8) 5.38 12.15 -41.68 1 4 1 44 396.894 2 ↓

Analogs

12442504
12442504
12442506
12442506
13730208
13730208

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Popular Name: (2Z)-8-cyclohexyl-2-[(2-fluorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(2-fluoroph…

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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) 4.87 8.92 -7.64 0 4 0 43 379.431 2 ↓
Mid Mid (pH 6-8) 4.87 11.9 -48.18 1 4 1 44 380.439 2 ↓

Analogs

12442504
12442504
12442509
12442509
12442507
12442507

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Popular Name: (2Z)-8-cyclohexyl-2-[(2-methoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(2-methoxyp…

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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) 4.76 8.24 -8.54 0 5 0 52 391.467 3 ↓
Mid Mid (pH 6-8) 4.76 11.22 -46.58 1 5 1 53 392.475 3 ↓

Analogs

12442612
12442612
12442509
12442509
12442507
12442507

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Popular Name: (2E)-8-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-[(3,4-dimeth…

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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) 4.40 7.94 -10.02 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 4.40 10.92 -47.39 1 6 1 62 422.501 4 ↓

Analogs

12442612
12442612
12442509
12442509
12442507
12442507

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Popular Name: (2E)-8-cyclohexyl-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-[(3,4,5-trim…

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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) 4.38 8.08 -11.8 0 7 0 70 451.519 5 ↓
Mid Mid (pH 6-8) 4.38 10.85 -50.4 1 7 1 72 452.527 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-cyclohexyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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) 5.50 9.35 -8.06 0 4 0 43 413.876 2 ↓
Mid Mid (pH 6-8) 5.50 12.33 -43.23 1 4 1 44 414.884 2 ↓

Analogs

12442504
12442504
12442509
12442509
12442507
12442507

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclohexyl-2-[(2,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclohexyl-2-[(2,4-dimeth…

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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) 4.79 7.54 -8.96 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 4.79 10.53 -48.5 1 6 1 62 422.501 4 ↓

Parameters Provided:

ring.id = 329209
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 = 329209 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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