 |
| 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 |
Ligand Type: Small Molecule |