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Table 4 Reactivity descriptors of compound 6

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