 |
| Ligand Name:
2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide |
| HET ID: R3P |
PubChem:
25236799
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(N1CCC(CC1)NC(=O)c1c(Cl)cccc1Cl)C |
| Standard InChI: InChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20) |
| Molecular Formula: C15H20Cl2N2O |
Mol. Weight: 315.2381 |
Heavy Atoms: 20 |
| Charge: 0 |
Is Chiral: False |
logP: 3.9248 |
| HBD: 1 |
HBA: 3 |
TPSA: 32.34 |
| #Bonds: 21 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.53333336 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |