Ligand |
||
 | ||
| Ligand Name: ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide | ||
| HET ID: N2K | PubChem: 72704498 | |
| DrugBank: - | ChEMBL: CHEMBL3087809 | |
| Canonical SMILES: CCN(CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F)CC | ||
| Standard InChI: InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3 | ||
| Molecular Formula: C14H21F3N2O2S | Mol. Weight: 338.38895 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: 3.9383 |
| HBD: 1 | HBA: 4 | TPSA: 57.79 |
| #Bonds: 22 | #Rotatable Bonds: 9 | Shape Complexity: 0.5714286 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |