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Ligand Download |
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| Ligand Name: (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol | ||
| HET ID: 0H7 | PubChem: 1166471 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC(c1ccc(s1)Cl)(c1ccc(s1)Cl)[C@H]1CN2CCC1CC2 | ||
| Standard InChI: InChI=1S/C16H17Cl2NOS2/c17-14-3-1-12(21-14)16(20,13-2-4-15(18)22-13)11-9-19-7-5-10(11)6-8-19/h1-4,10-11,20H,5-9H2/t11-/m0/s1 | ||
| Molecular Formula: C16H17Cl2NOS2 | Mol. Weight: 374.34827 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: True | logP: 4.632 |
| HBD: 1 | HBA: 4 | TPSA: 79.95 |
| #Bonds: 26 | #Rotatable Bonds: 3 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.1875 | ||