From: Synthesis, DFT and molecular docking of novel (Z)-4-bromo-N-(4-butyl-3 (quinolin-3-yl)thiazol-2(3H)-ylidene)benzamide as elastase inhibitor
Compound
Ionization energy
Electron affinity
Electron donating power
Electron accepting power
Net electrophilicity
Electro-negativity
Electrophilicity index
6
0.2165
0.07583
0.234
0.088
0.321
0.146
0.152