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Ligand Download |
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| Ligand Name: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline | ||
| HET ID: F0C | PubChem: 3016591 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COc1ccc(cc1)CC1=NCCC2=C1CCCC2 | ||
| Standard InChI: InChI=1S/C17H21NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9H,2-5,10-12H2,1H3 | ||
| Molecular Formula: C17H21NO | Mol. Weight: 255.35474 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: False | logP: 3.3886 |
| HBD: 0 | HBA: 2 | TPSA: 21.59 |
| #Bonds: 21 | #Rotatable Bonds: 3 | Shape Complexity: 0.47058824 |
| Stereocomplexity: 0.0 | ||