Ligand |
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| Ligand Name: 1-thioxy-3-hydroxy-acetone | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1305 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OCC(=O)CSO | ||
| Standard InChI: InChI=1S/C3H6O3S/c4-1-3(5)2-7-6/h4,6H,1-2H2 | ||
| Molecular Formula: C3H6O3S | Mol. Weight: 122.00376 | logP: -0.246 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 3 | TPSA: 57.53 | |