In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 20 | Yes |
Popular Name: (2S)-2-benzyl-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-oxo-propanenitrile (2S)-2-benzyl-3-[(2S,5R)-2,5-dim…
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) | 2.16 | 7.01 | -7.76 | 0 | 4 | 0 | 53 | 272.348 | 3 | ↓ |
Popular Name: (2R)-2-methyl-3-phenyl-1-[(2R)-2,5,5-trimethylmorpholin-4-yl]propan-1-one (2R)-2-methyl-3-phenyl-1-[(2R)-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) | 3.23 | 8.09 | -6.09 | 0 | 3 | 0 | 30 | 275.392 | 3 | ↓ |
Popular Name: (2R)-2-methyl-3-phenyl-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one (2R)-2-methyl-3-phenyl-1-[(2S)-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) | 3.23 | 8.05 | -6.21 | 0 | 3 | 0 | 30 | 275.392 | 3 | ↓ |
Popular Name: (2S)-2-methyl-3-phenyl-1-[(2R)-2,5,5-trimethylmorpholin-4-yl]propan-1-one (2S)-2-methyl-3-phenyl-1-[(2R)-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) | 3.23 | 8.12 | -6.06 | 0 | 3 | 0 | 30 | 275.392 | 3 | ↓ |
Popular Name: (2S)-2-methyl-3-phenyl-1-[(2S)-2,5,5-trimethylmorpholin-4-yl]propan-1-one (2S)-2-methyl-3-phenyl-1-[(2S)-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) | 3.23 | 8.09 | -6.13 | 0 | 3 | 0 | 30 | 275.392 | 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) | 1.47 | 5.6 | -8.46 | 0 | 4 | 0 | 53 | 244.294 | 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) | 1.47 | 5.62 | -8.97 | 0 | 4 | 0 | 53 | 244.294 | 3 | ↓ |