 |
| Ligand Name:
N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide |
| HET ID: A36 |
PubChem:
71677772
|
| DrugBank: - |
ChEMBL: CHEMBL3087807 |
| Canonical SMILES: CCN(CCNS(=O)(=O)Cc1ccc(cc1)F)CC |
| Standard InChI: InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3 |
| Molecular Formula: C13H21FN2O2S |
Mol. Weight: 288.38144 |
Heavy Atoms: 19 |
| Charge: 0 |
Is Chiral: False |
logP: 3.0586 |
| HBD: 1 |
HBA: 4 |
TPSA: 57.79 |
| #Bonds: 19 |
#Rotatable Bonds: 8 |
Shape Complexity: 0.53846157 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |