Table 1: Comparison of binding energy scores of reference and potential drug molecules.

Mol. numberH-bonding energyCoulomb energyCovalent binding energyPi-pi packing energyLipophilic energyBinding energyElectrosolvation energyVan der Waals energy

Ref.−0.333.524.77−0.17−42.46−80.965.05−51.35
A−2.35−19.232.09−3.63−37.46−83.7921.08−44.34
B−3.78−66.205.940−32.50−98.1637.69−39.30