 |
| Ligand Name:
(1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE |
| HET ID: C5E |
PubChem:
10235
|
| DrugBank: DB09028 |
ChEMBL: CHEMBL497939 |
| Canonical SMILES: O=c1cccc2n1C[C@@H]1CNC[C@H]2C1 |
| Standard InChI: InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 |
| Molecular Formula: C11H14N2O |
Mol. Weight: 190.24165 |
Heavy Atoms: 14 |
| Charge: 0 |
Is Chiral: True |
logP: 0.8838 |
| HBD: 1 |
HBA: 3 |
TPSA: 34.03 |
| #Bonds: 18 |
#Rotatable Bonds: 0 |
Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.18181819 |
Ligand Type: Small Molecule |