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Ligand Download |
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| Ligand Name: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate | ||
| HET ID: QNB | PubChem: 688566 | |
| DrugBank: - | ChEMBL: CHEMBL558910 | |
| Canonical SMILES: O=C(C(c1ccccc1)(c1ccccc1)O)O[C@H]1CN2CCC1CC2 | ||
| Standard InChI: InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1 | ||
| Molecular Formula: C21H23NO3 | Mol. Weight: 337.41223 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 2.4978 |
| HBD: 1 | HBA: 4 | TPSA: 49.77 |
| #Bonds: 29 | #Rotatable Bonds: 5 | Shape Complexity: 0.3809524 |
| Stereocomplexity: 0.14285715 | ||