 |
| Ligand Name:
2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| HET ID: BBO |
PubChem:
2826521
|
| DrugBank: - |
ChEMBL: CHEMBL4069989 |
| Canonical SMILES: O=c1n(CCCN2CCOCC2)c(=O)c2c3c1cccc3ccc2 |
| Standard InChI: InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2 |
| Molecular Formula: C19H20N2O3 |
Mol. Weight: 324.3737 |
Heavy Atoms: 24 |
| Charge: 0 |
Is Chiral: False |
logP: 1.6129 |
| HBD: 0 |
HBA: 5 |
TPSA: 51.54 |
| #Bonds: 27 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.36842105 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |