Ligand |
||
 | ||
| Ligand Name: 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone | ||
| HET ID: 4P0 | PubChem: 3034748 | |
| DrugBank: - | ChEMBL: CHEMBL2332144 | |
| Canonical SMILES: CC(=O)C1=CCC[C@H]2N[C@@H]1CC2 | ||
| Standard InChI: InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1 | ||
| Molecular Formula: C10H15NO | Mol. Weight: 165.2322 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 1.745 |
| HBD: 1 | HBA: 2 | TPSA: 29.1 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.7 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |