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Ligand Download |
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| Ligand Name: (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine | ||
| HET ID: B41 | PubChem: 854031 | |
| DrugBank: - | ChEMBL: CHEMBL195390 | |
| Canonical SMILES: CN[C@H](Cc1ccc2c(c1)OCO2)C | ||
| Standard InChI: InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1 | ||
| Molecular Formula: C11H15NO2 | Mol. Weight: 193.2423 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 1.9566 |
| HBD: 1 | HBA: 3 | TPSA: 30.49 |
| #Bonds: 16 | #Rotatable Bonds: 3 | Shape Complexity: 0.45454547 |
| Stereocomplexity: 0.09090909 | ||