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Ligand Download |
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| Ligand Name: (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine | ||
| HET ID: 7LB | PubChem: 10015868 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN[C@H](C/C=C/c1cncc(c1)Oc1ccccc1)C | ||
| Standard InChI: InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1 | ||
| Molecular Formula: C17H20N2O | Mol. Weight: 268.3535 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: True | logP: 4.276 |
| HBD: 1 | HBA: 3 | TPSA: 34.15 |
| #Bonds: 22 | #Rotatable Bonds: 6 | Shape Complexity: 0.23529412 |
| Stereocomplexity: 0.05882353 | ||