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Ligand Download |
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| Ligand Name: [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine | ||
| HET ID: 5R8 | PubChem: 18525875 | |
| DrugBank: - | ChEMBL: CHEMBL3763993 | |
| Canonical SMILES: NCc1ccc(cc1)CN1CCCN(CC1)C | ||
| Standard InChI: InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3 | ||
| Molecular Formula: C14H23N3 | Mol. Weight: 233.35252 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 1.8589 |
| HBD: 1 | HBA: 3 | TPSA: 32.5 |
| #Bonds: 18 | #Rotatable Bonds: 3 | Shape Complexity: 0.5714286 |
| Stereocomplexity: 0.0 | ||