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Ligand Download |
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| Ligand Name: (3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one | ||
| HET ID: BY4 | PubChem: 26722529 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1Nc2c([C@H]1N)c(C)ccc2 | ||
| Standard InChI: InChI=1S/C9H10N2O/c1-5-3-2-4-6-7(5)8(10)9(12)11-6/h2-4,8H,10H2,1H3,(H,11,12)/t8-/m1/s1 | ||
| Molecular Formula: C9H10N2O | Mol. Weight: 162.1885 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 1.7852 |
| HBD: 2 | HBA: 3 | TPSA: 55.12 |
| #Bonds: 14 | #Rotatable Bonds: 0 | Shape Complexity: 0.22222222 |
| Stereocomplexity: 0.11111111 | ||