Ligand |
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| Ligand Name: N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | ||
| HET ID: S3O | PubChem: 146018719 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(=O)Nc1cc2NCCCc2c(n1)c1cccc(c1C)C | ||
| Standard InChI: InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22) | ||
| Molecular Formula: C18H21N3O | Mol. Weight: 295.37885 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: 3.8929 |
| HBD: 2 | HBA: 4 | TPSA: 54.02 |
| #Bonds: 24 | #Rotatable Bonds: 3 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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