 |
| Ligand Name:
[(1S,5R)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE |
| HET ID: V11 |
PubChem:
53245678
|
| DrugBank: - |
ChEMBL: CHEMBL1947058 |
| Canonical SMILES: O[C@H](c1ccccc1)CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1ccccc1 |
| Standard InChI: InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21-/m0/s1 |
| Molecular Formula: C22H25NO3 |
Mol. Weight: 351.4388 |
Heavy Atoms: 26 |
| Charge: 0 |
Is Chiral: True |
logP: 3.5103 |
| HBD: 1 |
HBA: 4 |
TPSA: 49.77 |
| #Bonds: 33 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.4090909 |
| Stereocomplexity: 0.18181819 |
Ligand Type: Small Molecule |