Ligand |
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| Ligand Name: (3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine | ||
| HET ID: P1M | PubChem: 53255098 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)Nc1ccccc1Br | ||
| Standard InChI: InChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3/t11-,12+,13- | ||
| Molecular Formula: C15H21BrN2 | Mol. Weight: 309.24463 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: True | logP: 3.8872 |
| HBD: 1 | HBA: 2 | TPSA: 15.27 |
| #Bonds: 23 | #Rotatable Bonds: 2 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
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