Ligand |
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| Ligand Name: 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol | ||
| HET ID: E3X | PubChem: 95056 | |
| DrugBank: - | ChEMBL: CHEMBL108967 | |
| Canonical SMILES: CN1CCC(=CC1)c1ccc(cc1)O | ||
| Standard InChI: InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3 | ||
| Molecular Formula: C12H15NO | Mol. Weight: 189.2536 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 2.049 |
| HBD: 1 | HBA: 2 | TPSA: 23.47 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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