Ligand |
||
 | ||
| Ligand Name: N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide | ||
| HET ID: UFJ | PubChem: 46205754 | |
| DrugBank: - | ChEMBL: CHEMBL1091578 | |
| Canonical SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)I | ||
| Standard InChI: InChI=1S/C14H19IN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19) | ||
| Molecular Formula: C14H19IN2O3 | Mol. Weight: 390.21674 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 3.5396 |
| HBD: 3 | HBA: 5 | TPSA: 78.43 |
| #Bonds: 20 | #Rotatable Bonds: 10 | Shape Complexity: 0.42857143 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |