 |
| 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 |
Ligand Type: Small Molecule |