 |
| Ligand Name:
3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL |
| HET ID: NGT |
PubChem:
5289024
|
| DrugBank: DB03747 |
ChEMBL: CHEMBL257158 |
| Canonical SMILES: OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@H]([C@@H]1O)O)C |
| Standard InChI: InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1 |
| Molecular Formula: C8H13NO4S |
Mol. Weight: 219.25812 |
Heavy Atoms: 14 |
| Charge: 0 |
Is Chiral: True |
logP: -1.6052 |
| HBD: 3 |
HBA: 6 |
TPSA: 107.58 |
| #Bonds: 20 |
#Rotatable Bonds: 1 |
Shape Complexity: 0.875 |
| Stereocomplexity: 0.625 |
Ligand Type: Small Molecule |