 |
| Ligand Name: JM102 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB225 |
PubChem:
44626812
|
Synonym(s):
- chembl566919
- bdbm50303357
- zinc45245851
- 3,3-diethyl-1-(6-methylpyridin-3-yl)azetidine-2,4-dione
show 3 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL566919 |
| Canonical SMILES: CCC1(CC)C(=O)N(C1=O)c2ccc(C)nc2 |
| Standard InChI: InChI=1S/C13H16N2O2/c1-4-13(5-2)11(16)15(12(13)17)10-7-6-9(3)14-8-10/h6-8H,4-5H2,1-3H3 |
| Molecular Formula: C13H16N2O2 |
Mol. Weight: 232.12119 |
logP: 2.06962 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 50.27 |