 |
| Ligand Name:
6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one |
| HET ID: B4O |
PubChem:
2749
|
| DrugBank: DB01188 |
ChEMBL: CHEMBL1413 |
| Canonical SMILES: Cc1cc(C2CCCCC2)n(c(=O)c1)O |
| Standard InChI: InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3 |
| Molecular Formula: C12H17NO2 |
Mol. Weight: 207.26888 |
Heavy Atoms: 15 |
| Charge: 0 |
Is Chiral: False |
logP: 2.4417 |
| HBD: 1 |
HBA: 3 |
TPSA: 42.23 |
| #Bonds: 16 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.5833333 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |