Ligand |
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| Ligand Name: (3R)-3-[(3-methoxyphenyl)methyl]piperidine | ||
| HET ID: 7VY | PubChem: 40427923 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COc1cccc(c1)C[C@H]1CCCNC1 | ||
| Standard InChI: InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3/t12-/m1/s1 | ||
| Molecular Formula: C13H19NO | Mol. Weight: 205.29607 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: True | logP: 2.5661 |
| HBD: 1 | HBA: 2 | TPSA: 21.26 |
| #Bonds: 17 | #Rotatable Bonds: 3 | Shape Complexity: 0.53846157 |
| Stereocomplexity: 0.07692308 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | IC50 : 95000 nM |