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

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Popular Name: N-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-fluorophenyl)acetamide N-(4-allyl-3-oxo-1,4-benzoxazin-…

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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) 3.00 1.14 -14.91 1 5 0 59 340.354 5 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]acetamide 2-(4-fluorophenyl)-N-[4-(2-methy…

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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 1.42 -15.05 1 5 0 59 354.381 5 ↓

Analogs

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Popular Name: N-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-fluorophenyl)acetamide N-(4-butyl-3-oxo-1,4-benzoxazin-…

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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) 3.79 0.88 -15.28 1 5 0 59 356.397 6 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)acetamide 2-(4-fluorophenyl)-N-(3-oxo-4-pe…

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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) 4.30 1 -15.26 1 5 0 59 370.424 7 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(4-isobutyl-3-oxo-1,4-benzoxazin-6-yl)acetamide 2-(4-fluorophenyl)-N-(4-isobutyl…

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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) 3.48 0.95 -14.81 1 5 0 59 356.397 5 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)acetamide 2-(4-fluorophenyl)-N-(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) 3.03 0.92 -14.8 1 5 0 59 342.37 4 ↓

Analogs

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Popular Name: N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[4-(2-dimethylaminoethyl)-3-ox…

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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) 2.38 1.22 -51.64 2 6 1 63 372.42 6 ↓

Analogs

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Popular Name: N-[4-(3-dimethylaminopropyl)-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[4-(3-dimethylaminopropyl)-3-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) 2.65 1.33 -50.36 2 6 1 63 386.447 7 ↓

Analogs

12223430
12223430

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Popular Name: N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2R)-4-ethyl-2-methyl-3-oxo-1…

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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) 3.09 0.87 -14.66 1 5 0 59 342.37 4 ↓

Analogs

12223429
12223429

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Popular Name: N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2S)-4-ethyl-2-methyl-3-oxo-1…

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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) 3.09 0.83 -14.67 1 5 0 59 342.37 4 ↓

Analogs

12223438
12223438

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Popular Name: 2-(4-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]acetamide 2-(4-fluorophenyl)-N-[(2R)-2-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) 3.60 0.99 -14.79 1 5 0 59 356.397 5 ↓

Analogs

12223437
12223437

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Popular Name: 2-(4-fluorophenyl)-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]acetamide 2-(4-fluorophenyl)-N-[(2S)-2-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) 3.60 0.96 -14.68 1 5 0 59 356.397 5 ↓

Analogs

12223465
12223465

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2S)-4-allyl-2-methyl-3-oxo-1…

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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) 3.36 1.34 -14.27 1 5 0 59 354.381 5 ↓

Analogs

12223464
12223464

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2R)-4-allyl-2-methyl-3-oxo-1…

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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) 3.36 1.37 -14.33 1 5 0 59 354.381 5 ↓

Analogs

12223467
12223467

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]acetamide 2-(4-fluorophenyl)-N-[(2S)-2-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) 3.91 1.6 -14.7 1 5 0 59 368.408 5 ↓

Analogs

12223466
12223466

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]acetamide 2-(4-fluorophenyl)-N-[(2R)-2-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) 3.91 1.62 -14.48 1 5 0 59 368.408 5 ↓

Analogs

12223469
12223469

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2R)-4-butyl-2-methyl-3-oxo-1…

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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) 4.15 1.13 -14.54 1 5 0 59 370.424 6 ↓

Analogs

12223468
12223468

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2S)-4-butyl-2-methyl-3-oxo-1…

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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) 4.15 1.06 -14.98 1 5 0 59 370.424 6 ↓

Analogs

12223477
12223477

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Popular Name: N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2S)-4-(2-dimethylaminoethyl)…

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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 1.39 -51.36 2 6 1 63 386.447 6 ↓

Analogs

12223476
12223476

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2R)-4-(2-dimethylaminoethyl)…

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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 1.45 -51.24 2 6 1 63 386.447 6 ↓

Analogs

12223481
12223481

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-(3-dimethylaminopropyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2S)-4-(3-dimethylaminopropyl…

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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) 3.02 1.51 -49.86 2 6 1 63 400.474 7 ↓

Analogs

12223480
12223480

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-(3-dimethylaminopropyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-fluorophenyl)acetamide N-[(2R)-4-(3-dimethylaminopropyl…

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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) 3.02 1.51 -55.01 2 6 1 63 400.474 7 ↓

Analogs

12224107
12224107
25465844
25465844

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Popular Name: 2-(4-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide 2-(4-methoxyphenyl)-N-(3-oxo-4H-…

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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) 2.00 -1.9 -16.39 2 6 0 77 312.325 4 ↓

Analogs

12224113
12224113

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Popular Name: 2-(4-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide 2-(4-methoxyphenyl)-N-(4-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) 2.25 -0.25 -15.47 1 6 0 68 326.352 4 ↓

Analogs

12223562
12223562
12224118
12224118
12224126
12224126
12172275
12172275
12172280
12172280

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2S)-2,4-dimethyl-3-oxo-1,4-b…

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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 -0.13 -14.91 1 6 0 68 340.379 4 ↓

Analogs

12224118
12224118
12224126
12224126
12172275
12172275
12172280
12172280
12223559
12223559

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2R)-2,4-dimethyl-3-oxo-1,4-b…

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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 -0.09 -15.02 1 6 0 68 340.379 4 ↓

Analogs

12224129
12224129

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Popular Name: N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methoxyphenyl)acetamide N-(4-ethyl-3-oxo-1,4-benzoxazin-…

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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) 2.62 -0.03 -15.46 1 6 0 68 340.379 5 ↓

Analogs

12224158
12224158

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Popular Name: 2-(4-methoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide 2-(4-methoxyphenyl)-N-(3-oxo-4-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) 3.13 0.04 -15.3 1 6 0 68 354.406 6 ↓

Analogs

12224392
12224392

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Popular Name: N-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methoxyphenyl)acetamide N-(4-allyl-3-oxo-1,4-benzoxazin-…

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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) 2.89 0.42 -14.95 1 6 0 68 352.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]acetamide 2-(4-methoxyphenyl)-N-[4-(2-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) 3.44 0.7 -15.24 1 6 0 68 366.417 6 ↓

Analogs

12224399
12224399

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-butyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methoxyphenyl)acetamide N-(4-butyl-3-oxo-1,4-benzoxazin-…

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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) 3.68 0.16 -15.37 1 6 0 68 368.433 7 ↓

Analogs

12224406
12224406

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)acetamide 2-(4-methoxyphenyl)-N-(3-oxo-4-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) 4.19 0.28 -15.26 1 6 0 68 382.46 8 ↓

Analogs

12224419
12224419

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isobutyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methoxyphenyl)acetamide N-(4-isobutyl-3-oxo-1,4-benzoxaz…

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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) 3.37 0.23 -14.96 1 6 0 68 368.433 6 ↓

Analogs

12224425
12224425

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Popular Name: N-(4-isopropyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methoxyphenyl)acetamide N-(4-isopropyl-3-oxo-1,4-benzoxa…

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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) 2.92 0.2 -14.83 1 6 0 68 354.406 5 ↓

Analogs

12224438
12224438

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Popular Name: N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[4-(2-dimethylaminoethyl)-3-ox…

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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) 2.28 0.49 -52.6 2 7 1 72 384.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3-dimethylaminopropyl)-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[4-(3-dimethylaminopropyl)-3-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) 2.55 0.61 -51.54 2 7 1 72 398.483 8 ↓

Analogs

12223690
12223690
12224465
12224465
12224470
12224470
12172576
12172576
12172581
12172581

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2R)-4-ethyl-2-methyl-3-oxo-1…

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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) 2.99 0.15 -14.96 1 6 0 68 354.406 5 ↓

Analogs

12224465
12224465
12224470
12224470
12172576
12172576
12172581
12172581
12223687
12223687

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Popular Name: N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2S)-4-ethyl-2-methyl-3-oxo-1…

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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) 2.99 0.11 -14.9 1 6 0 68 354.406 5 ↓

Analogs

12223712
12223712
12224524
12224524
12224530
12224530
12172617
12172617
12172620
12172620

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Popular Name: 2-(4-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]acetamide 2-(4-methoxyphenyl)-N-[(2R)-2-me…

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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) 3.49 0.27 -15.11 1 6 0 68 368.433 6 ↓

Analogs

12224524
12224524
12224530
12224530
12172617
12172617
12172620
12172620
12223709
12223709

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Popular Name: 2-(4-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]acetamide 2-(4-methoxyphenyl)-N-[(2S)-2-me…

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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) 3.49 0.24 -14.93 1 6 0 68 368.433 6 ↓

Analogs

12223793
12223793
12224737
12224737
12224742
12224742
12172737
12172737
12172742
12172742

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Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2S)-4-allyl-2-methyl-3-oxo-1…

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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) 3.25 0.62 -14.49 1 6 0 68 366.417 6 ↓

Analogs

12224737
12224737
12224742
12224742
12172737
12172737
12172742
12172742
12223790
12223790

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Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2R)-4-allyl-2-methyl-3-oxo-1…

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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) 3.25 0.65 -14.7 1 6 0 68 366.417 6 ↓

Analogs

12223800
12223800
12224745
12224745
12224753
12224753
12172744
12172744
12172749
12172749

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Popular Name: 2-(4-methoxyphenyl)-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]acetamide 2-(4-methoxyphenyl)-N-[(2S)-2-me…

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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) 3.80 0.88 -14.97 1 6 0 68 380.444 6 ↓

Analogs

12224745
12224745
12224753
12224753
12172744
12172744
12172749
12172749
12223796
12223796

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Popular Name: 2-(4-methoxyphenyl)-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]acetamide 2-(4-methoxyphenyl)-N-[(2R)-2-me…

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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) 3.80 0.9 -14.84 1 6 0 68 380.444 6 ↓

Analogs

12223807
12223807
12224760
12224760
12224769
12224769
12172751
12172751
12172755
12172755

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Popular Name: N-[(2R)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2R)-4-butyl-2-methyl-3-oxo-1…

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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) 4.05 0.41 -14.79 1 6 0 68 382.46 7 ↓

Analogs

12224760
12224760
12224769
12224769
12172751
12172751
12172755
12172755
12223803
12223803

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Popular Name: N-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2S)-4-butyl-2-methyl-3-oxo-1…

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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) 4.05 0.34 -15.23 1 6 0 68 382.46 7 ↓

Analogs

12223814
12223814
12172761
12172761
12172767
12172767

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Popular Name: 2-(4-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]acetamide 2-(4-methoxyphenyl)-N-[(2R)-2-me…

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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) 4.55 0.46 -14.62 1 6 0 68 396.487 8 ↓

Analogs

12172761
12172761
12172767
12172767
12223810
12223810

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]acetamide 2-(4-methoxyphenyl)-N-[(2S)-2-me…

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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) 4.55 0.46 -15.15 1 6 0 68 396.487 8 ↓

Analogs

12223835
12223835
3651975
3651975
3651976
3651976
12172787
12172787

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Popular Name: N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2S)-4-(2-dimethylaminoethyl)…

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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) 2.64 0.67 -50.9 2 7 1 72 398.483 7 ↓

Analogs

12172787
12172787
12172792
12172792
12223832
12223832

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Popular Name: N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-(4-methoxyphenyl)acetamide N-[(2R)-4-(2-dimethylaminoethyl)…

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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) 2.64 0.73 -50.82 2 7 1 72 398.483 7 ↓

Parameters Provided:

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