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Table 3 An overview of the Global Reactivity Descriptors for synthesized compounds (7a-7f)

From: Exploration of newly synthesized azo-thiohydantoins as the potential alkaline phosphatase inhibitors via advanced biochemical characterization and molecular modeling approaches

Codes

Chemical Potential µ (eV)

Electronegativity X (eV)

Hardness Æž (eV)

softness S (eV-1)

Electrophilicity index ω (eV)

7a

-0.148

0.148

0.064

7.779

0.169

7b

-0.165

0.165

0.054

9.328

0.255

7c

-0.155

0.155

0.061

8.254

0.198

7d

-0.152

0.152

0.062

8.009

0.184

7e

-0.161

0.161

0.056

8.906

0.232

7f

-0.170

0.170

0.049

10.172

0.293