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Analogs

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Popular Name: 1-[(3-amino-4-methoxy-phenyl)methyl]quinolin-2-one 1-[(3-amino-4-methoxy-phenyl)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) 2.74 6.3 -11.99 2 4 0 57 280.327 3 ↓

Analogs

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Popular Name: 1-[(2-amino-6-fluoro-phenyl)methyl]quinolin-2-one 1-[(2-amino-6-fluoro-phenyl)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) 2.82 7.27 -15.04 2 3 0 48 268.291 2 ↓

Analogs

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Popular Name: 1-[(2-aminophenyl)methyl]quinolin-2-one 1-[(2-aminophenyl)methyl]quinoli…

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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) 2.70 7.51 -11.39 2 3 0 48 250.301 2 ↓

Analogs

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Popular Name: 1-[(4-amino-2-bromo-phenyl)methyl]quinolin-2-one 1-[(4-amino-2-bromo-phenyl)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) 3.08 7.08 -9.03 2 3 0 48 329.197 2 ↓

Analogs

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Popular Name: 1-[(2-amino-4-chloro-phenyl)methyl]quinolin-2-one 1-[(2-amino-4-chloro-phenyl)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) 3.36 8.03 -10.66 2 3 0 48 284.746 2 ↓

Analogs

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Popular Name: 1-[(5-amino-2-methoxy-phenyl)methyl]quinolin-2-one 1-[(5-amino-2-methoxy-phenyl)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) 2.33 7.43 -12.39 2 4 0 57 280.327 3 ↓
Lo Low (pH 4.5-6) 2.33 7.29 -57.3 3 4 1 59 281.335 3 ↓

Analogs

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Popular Name: 1-[(3-amino-4-chloro-phenyl)methyl]quinolin-2-one 1-[(3-amino-4-chloro-phenyl)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) 3.36 7.46 -10.18 2 3 0 48 284.746 2 ↓

Analogs

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Popular Name: 1-[(4-aminophenyl)methyl]quinolin-2-one 1-[(4-aminophenyl)methyl]quinoli…

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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) 2.35 6.88 -11.43 2 3 0 48 250.301 2 ↓

Analogs

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Popular Name: 1-[(2-amino-6-bromo-phenyl)methyl]quinolin-2-one 1-[(2-amino-6-bromo-phenyl)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) 3.47 7.69 -10.46 2 3 0 48 329.197 2 ↓

Analogs

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Popular Name: 1-[(5-amino-2-chloro-phenyl)methyl]quinolin-2-one 1-[(5-amino-2-chloro-phenyl)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) 2.95 7.04 -9.14 2 3 0 48 284.746 2 ↓

Analogs

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Popular Name: 1-[(2-amino-6-chloro-phenyl)methyl]quinolin-2-one 1-[(2-amino-6-chloro-phenyl)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) 3.34 7.51 -7.17 2 3 0 48 284.746 2 ↓

Analogs

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Popular Name: 1-[(4-amino-2-chloro-phenyl)methyl]quinolin-2-one 1-[(4-amino-2-chloro-phenyl)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) 2.95 7.24 -11.51 2 3 0 48 284.746 2 ↓

Analogs

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Popular Name: 1-[(2-amino-5-fluoro-phenyl)methyl]quinolin-2-one 1-[(2-amino-5-fluoro-phenyl)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) 2.85 7.58 -12.89 2 3 0 48 268.291 2 ↓

Analogs

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Popular Name: 1-[(3-amino-2-methyl-phenyl)methyl]quinolin-2-one 1-[(3-amino-2-methyl-phenyl)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) 3.11 8.07 -11.78 2 3 0 48 264.328 2 ↓

Analogs

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Popular Name: 1-[[4-(aminomethyl)phenyl]methyl]quinolin-2-one 1-[[4-(aminomethyl)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) 2.46 7.05 -51.47 3 3 1 50 265.336 3 ↓
Hi High (pH 8-9.5) 2.46 6.65 -10.69 2 3 0 48 264.328 3 ↓

Analogs

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Popular Name: 1-[[4-(aminomethyl)-2-fluoro-phenyl]methyl]quinolin-2-one 1-[[4-(aminomethyl)-2-fluoro-phe…

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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 7.14 -57.43 3 3 1 50 283.326 3 ↓
Hi High (pH 8-9.5) 2.55 6.74 -13.68 2 3 0 48 282.318 3 ↓

Analogs

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Popular Name: 1-[[3-(aminomethyl)phenyl]methyl]quinolin-2-one 1-[[3-(aminomethyl)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) 2.43 7.04 -43.65 3 3 1 50 265.336 3 ↓
Hi High (pH 8-9.5) 2.43 6.64 -10.54 2 3 0 48 264.328 3 ↓

Analogs

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Popular Name: 1-[[5-(aminomethyl)-2-fluoro-phenyl]methyl]quinolin-2-one 1-[[5-(aminomethyl)-2-fluoro-phe…

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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 7.04 -65.94 3 3 1 50 283.326 3 ↓
Hi High (pH 8-9.5) 2.55 6.64 -14.07 2 3 0 48 282.318 3 ↓

Analogs

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Popular Name: 1-[[2-(aminomethyl)-4-fluoro-phenyl]methyl]quinolin-2-one 1-[[2-(aminomethyl)-4-fluoro-phe…

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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 7.59 -60.5 3 3 1 50 283.326 3 ↓
Hi High (pH 8-9.5) 2.55 7.23 -10.06 2 3 0 48 282.318 3 ↓

Analogs

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Popular Name: 1-[[2-(aminomethyl)phenyl]methyl]quinolin-2-one 1-[[2-(aminomethyl)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) 2.41 7.54 -56.98 3 3 1 50 265.336 3 ↓
Hi High (pH 8-9.5) 2.41 7.13 -10.84 2 3 0 48 264.328 3 ↓

Analogs

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Popular Name: 2-[(2-oxo-1-quinolyl)methyl]benzoic 2-[(2-oxo-1-quinolyl)methyl]benzoic

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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) 2.79 9.94 -61.44 0 4 -1 62 278.287 3 ↓

Analogs

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Popular Name: 3-[(2-oxo-1-quinolyl)methyl]benzonitrile 3-[(2-oxo-1-quinolyl)methyl]benz…

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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 9.4 -14.84 0 3 0 46 260.296 2 ↓

Analogs

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Popular Name: 4-fluoro-3-[(2-oxo-1-quinolyl)methyl]benzonitrile 4-fluoro-3-[(2-oxo-1-quinolyl)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) 3.12 9.39 -12.79 0 3 0 46 278.286 2 ↓

Analogs

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Popular Name: 4-[(2-oxo-1-quinolyl)methyl]benzonitrile 4-[(2-oxo-1-quinolyl)methyl]benz…

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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 9.4 -11.98 0 3 0 46 260.296 2 ↓

Analogs

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Popular Name: 3-fluoro-4-[(2-oxo-1-quinolyl)methyl]benzonitrile 3-fluoro-4-[(2-oxo-1-quinolyl)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) 3.12 9.49 -15.32 0 3 0 46 278.286 2 ↓

Analogs

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Popular Name: 2-[(2-oxo-1-quinolyl)methyl]benzonitrile 2-[(2-oxo-1-quinolyl)methyl]benz…

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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) 2.98 9.83 -12.5 0 3 0 46 260.296 2 ↓

Analogs

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Popular Name: 2-[(2-oxo-1-quinolyl)methyl]benzenecarbothioamide 2-[(2-oxo-1-quinolyl)methyl]benz…

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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 8.2 -20.14 2 3 0 48 294.379 3 ↓

Analogs

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Popular Name: 4-[(2-oxo-1-quinolyl)methyl]benzenecarbothioamide 4-[(2-oxo-1-quinolyl)methyl]benz…

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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) 3.07 8.23 -16.81 2 3 0 48 294.379 3 ↓

Analogs

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Popular Name: 3-[(2-oxo-1-quinolyl)methyl]benzenecarbothioamide 3-[(2-oxo-1-quinolyl)methyl]benz…

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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) 3.05 8.23 -25.31 2 3 0 48 294.379 3 ↓

Analogs

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Popular Name: 1-[(2-bromophenyl)methyl]quinolin-2-one 1-[(2-bromophenyl)methyl]quinoli…

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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) 4.03 9.21 -8.39 0 2 0 22 314.182 2 ↓

Analogs

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Popular Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]quinolin-2-one 1-[(3-bromo-4-methoxy-phenyl)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) 4.06 8.97 -13.6 0 3 0 31 344.208 3 ↓

Analogs

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Popular Name: 1-[(4-bromophenyl)methyl]quinolin-2-one 1-[(4-bromophenyl)methyl]quinoli…

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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) 4.08 9.63 -9.82 0 2 0 22 314.182 2 ↓

Analogs

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Popular Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]quinolin-2-one 1-[(3-bromo-4-fluoro-phenyl)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) 4.17 9.67 -11.93 0 2 0 22 332.172 2 ↓

Analogs

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Popular Name: 1-[(3-bromophenyl)methyl]quinolin-2-one 1-[(3-bromophenyl)methyl]quinoli…

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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 9.63 -11.66 0 2 0 22 314.182 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]quinolin-2-one 1-[(5-bromo-2-methoxy-phenyl)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) 4.06 10.18 -9.75 0 3 0 31 344.208 3 ↓

Analogs

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Popular Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]quinolin-2-one 1-[(2-bromo-4-fluoro-phenyl)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) 4.17 9.27 -7.41 0 2 0 22 332.172 2 ↓

Analogs

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Popular Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]quinolin-2-one 1-[(4-bromo-2-fluoro-phenyl)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) 4.17 9.72 -13.04 0 2 0 22 332.172 2 ↓

Parameters Provided:

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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 = 99242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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