Ligand |
||
 | ||
| Ligand Name: SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB687 | PubChem: 44561383 | |
Synonym(s):
|
||
| DrugBank: - | ChEMBL: CHEMBL503857 | |
| Canonical SMILES: CCCCCCCCCCOC(=O)SSCCO | ||
| Standard InChI: InChI=1S/C13H26O3S2/c1-2-3-4-5-6-7-8-9-11-16-13(15)18-17-12-10-14/h14H,2-12H2,1H3 | ||
| Molecular Formula: C13H26O3S2 | Mol. Weight: 294.13232 | logP: 4.6374 |
| HBD: 1 | HBA: 5 | |
| #Rotatable Bonds: 12 | TPSA: 46.53 | |