Ligand |
||
 | ||
| Ligand Name: 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine | ||
| HET ID: 8L3 | PubChem: 134693742 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Clc1ccc(cc1Cl)CC1(CCNCC1)COc1cccnc1 | ||
| Standard InChI: InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2 | ||
| Molecular Formula: C18H20Cl2N2O | Mol. Weight: 351.2702 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: 4.7085 |
| HBD: 1 | HBA: 3 | TPSA: 34.15 |
| #Bonds: 25 | #Rotatable Bonds: 5 | Shape Complexity: 0.3888889 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |