Ligand |
||
 | ||
| Ligand Name: 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide | ||
| HET ID: P7J | PubChem: 145865296 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ONC(=O)c1ccc(cc1)CNC[C@@H]1CC[C@@H]2C[C@H]1C2(C)C | ||
| Standard InChI: InChI=1S/C18H26N2O2/c1-18(2)15-8-7-14(16(18)9-15)11-19-10-12-3-5-13(6-4-12)17(21)20-22/h3-6,14-16,19,22H,7-11H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1 | ||
| Molecular Formula: C18H26N2O2 | Mol. Weight: 302.41125 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: True | logP: 3.7493 |
| HBD: 3 | HBA: 4 | TPSA: 61.36 |
| #Bonds: 27 | #Rotatable Bonds: 6 | Shape Complexity: 0.6111111 |
| Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |