Ligand |
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| Ligand Name: ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline | ||
| HET ID: S2Y | PubChem: 964317 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COc1ccc(cc1)NCc1ccc(cc1)F | ||
| Standard InChI: InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3 | ||
| Molecular Formula: C14H14FNO | Mol. Weight: 231.26546 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 3.5194 |
| HBD: 1 | HBA: 2 | TPSA: 21.26 |
| #Bonds: 18 | #Rotatable Bonds: 4 | Shape Complexity: 0.14285715 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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