 |
| Ligand Name:
R-ethopropazine |
| HET ID: BUW |
PubChem:
688098
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CCN([C@@H](CN1c2ccccc2Sc2c1cccc2)C)CC |
| Standard InChI: InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1 |
| Molecular Formula: C19H24N2S |
Mol. Weight: 312.47226 |
Heavy Atoms: 22 |
| Charge: 0 |
Is Chiral: True |
logP: 5.0846 |
| HBD: 0 |
HBA: 2 |
TPSA: 31.78 |
| #Bonds: 25 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.36842105 |
| Stereocomplexity: 0.05263158 |
Ligand Type: Small Molecule |