 |
| Ligand Name:
(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE |
| HET ID: OIN |
PubChem:
174174
|
| DrugBank: - |
ChEMBL: CHEMBL1234973 |
| Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
| Standard InChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 |
| Molecular Formula: C17H23NO3 |
Mol. Weight: 289.36942 |
Heavy Atoms: 21 |
| Charge: 0 |
Is Chiral: True |
logP: 1.8688 |
| HBD: 1 |
HBA: 4 |
TPSA: 49.77 |
| #Bonds: 23 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.5882353 |
| Stereocomplexity: 0.23529412 |
Ligand Type: Small Molecule |