In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-N-(4-chloro-3-cyano-phenyl)-4-methyl-pentanamide (2S)-2-amino-N-(4-chloro-3-cyano…
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) | 1.99 | 4.39 | -54.14 | 4 | 4 | 1 | 81 | 266.752 | 4 | ↓ |
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 | 6.29 | -12.28 | 1 | 3 | 0 | 53 | 234.686 | 2 | ↓ |
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) | 3.93 | 7.34 | -12.87 | 1 | 3 | 0 | 53 | 250.729 | 5 | ↓ |
Popular Name: N-(4-chloro-3-cyano-phenyl)-2-[(1R,2R,4S)-norbornan-2-yl]acetamide N-(4-chloro-3-cyano-phenyl)-2-[(…
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) | 3.66 | 8.51 | -12.79 | 1 | 3 | 0 | 53 | 288.778 | 3 | ↓ |
Popular Name: (1S,2R)-N-(4-chloro-3-cyano-phenyl)-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(4-chloro-3-cyano-phen…
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) | 2.96 | 6.5 | -11.67 | 1 | 3 | 0 | 53 | 234.686 | 2 | ↓ |
Popular Name: (1S,2S)-N-(4-chloro-3-cyano-phenyl)-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(4-chloro-3-cyano-phen…
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) | 2.96 | 6.45 | -12.27 | 1 | 3 | 0 | 53 | 234.686 | 2 | ↓ |
Popular Name: (1R,2R)-N-(4-chloro-3-cyano-phenyl)-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(4-chloro-3-cyano-phen…
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) | 2.96 | 6.45 | -12.23 | 1 | 3 | 0 | 53 | 234.686 | 2 | ↓ |
Popular Name: (1R,2S)-N-(4-chloro-3-cyano-phenyl)-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(4-chloro-3-cyano-phen…
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) | 2.96 | 6.5 | -11.68 | 1 | 3 | 0 | 53 | 234.686 | 2 | ↓ |
Popular Name: N-(4-chloro-3-cyano-phenyl)-3-cyclopentyl-propanamide N-(4-chloro-3-cyano-phenyl)-3-cy…
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 | 8.41 | -12.9 | 1 | 3 | 0 | 53 | 276.767 | 4 | ↓ |
Popular Name: N-(4-chloro-3-cyano-phenyl)-3,3-dicyclopropyl-propanamide N-(4-chloro-3-cyano-phenyl)-3,3-…
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) | 3.86 | 9.27 | -11.85 | 1 | 3 | 0 | 53 | 288.778 | 5 | ↓ |