Ligand |
||
 | ||
| Ligand Name: C1-31 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB227 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCSCOc1ccc(cc1NC(=O)CCl)S(=O)(=O)N2CCCCCC2 | ||
| Standard InChI: InChI=1S/C17H25ClN2O4S2/c1-2-25-13-24-16-8-7-14(11-15(16)19-17(21)12-18)26(22,23)20-9-5-3-4-6-10-20/h7-8,11H,2-6,9-10,12-13H2,1H3,(H,19,21) | ||
| Molecular Formula: C17H25ClN2O4S2 | Mol. Weight: 420.09442 | logP: 3.518 |
| HBD: 1 | HBA: 5 | |
| #Rotatable Bonds: 8 | TPSA: 75.71 | |