 |
| Ligand Name:
(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine |
| HET ID: 29E |
PubChem:
60835
|
| DrugBank: DB00476 |
ChEMBL: CHEMBL1175 |
| Canonical SMILES: CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 |
| Standard InChI: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 |
| Molecular Formula: C18H19NOS |
Mol. Weight: 297.41455 |
Heavy Atoms: 21 |
| Charge: 0 |
Is Chiral: True |
logP: 5.0218 |
| HBD: 1 |
HBA: 3 |
TPSA: 49.5 |
| #Bonds: 24 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.22222222 |
| Stereocomplexity: 0.055555556 |
Ligand Type: Small Molecule |