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Ligand Download |
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| Ligand Name: (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide | ||
| HET ID: EC7 | PubChem: 138753181 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC | ||
| Standard InChI: InChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3 | ||
| Molecular Formula: C18H35N3O | Mol. Weight: 309.49 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: True | logP: 2.5297 |
| HBD: 1 | HBA: 4 | TPSA: 35.58 |
| #Bonds: 23 | #Rotatable Bonds: 8 | Shape Complexity: 0.9444444 |
| Stereocomplexity: 0.055555556 | ||