|
Ligand Download |
||
 | ||
| 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 | ||