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Ligand Download |
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| Ligand Name: (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol | ||
| HET ID: S0S | PubChem: 1201335 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@H]1CS(=O)(=O)C[C@@H]1NCc1cccnc1 | ||
| Standard InChI: InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m0/s1 | ||
| Molecular Formula: C10H14N2O3S | Mol. Weight: 242.29475 | Heavy Atoms: 16 |
| Charge: 0 | Is Chiral: True | logP: 0.8008 |
| HBD: 2 | HBA: 5 | TPSA: 87.67 |
| #Bonds: 19 | #Rotatable Bonds: 3 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.2 | ||