Ligand |
||
 | ||
| Ligand Name: PCM-0102868 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1358 | PubChem: 42157716 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Fc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2 | ||
| Standard InChI: InChI=1S/C12H11ClFNO3S/c13-7-12(16)15(10-3-1-9(14)2-4-10)11-5-6-19(17,18)8-11/h1-6,11H,7-8H2/t11-/m1/s1 | ||
| Molecular Formula: C12H11ClFNO3S | Mol. Weight: 303.0132 | logP: 1.7082 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 3 | TPSA: 54.45 | |