Ligand |
||
 | ||
| Ligand Name: (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one | ||
| HET ID: 0TI | PubChem: 6926189 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=C1Nc2c([C@H]1O)cc(cc2)F | ||
| Standard InChI: InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1 | ||
| Molecular Formula: C8H6FNO2 | Mol. Weight: 167.13715 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 0.9492 |
| HBD: 2 | HBA: 3 | TPSA: 49.33 |
| #Bonds: 14 | #Rotatable Bonds: 0 | Shape Complexity: 0.125 |
| Stereocomplexity: 0.125 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |