Ligand |
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| Ligand Name: (2R)-4-methyl-2-[(2R)-thiiran-2-yl]pentanoic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1162 | PubChem: 145955234 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL4167456 | |
| Canonical SMILES: CC(C)C[C@@H]([C@@H]1CS1)C(O)=O | ||
| Standard InChI: InChI=1S/C8H14O2S/c1-5(2)3-6(8(9)10)7-4-11-7/h5-7H,3-4H2,1-2H3,(H,9,10)/t6-,7-/m0/s1 | ||
| Molecular Formula: C8H14O2S | Mol. Weight: 174.07146 | logP: 1.8487 |
| HBD: 1 | HBA: 2 | |
| #Rotatable Bonds: 4 | TPSA: 37.3 | |