Ligand |
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| Ligand Name: 5-fluoronicotine | ||
| HET ID: FN1 | PubChem: 21127375 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN1CCC[C@H]1c1cncc(c1)F | ||
| Standard InChI: InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1 | ||
| Molecular Formula: C10H13FN2 | Mol. Weight: 180.22203 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: True | logP: 1.9253 |
| HBD: 0 | HBA: 2 | TPSA: 16.13 |
| #Bonds: 15 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.1 | Ligand Type: Small Molecule | |
Binding Affinity |
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