 |
| 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 |
Ligand Type: Small Molecule |