Table 8. Calculated binding free energy of protein for complex_1, complex_3 and complex_6 with its component contributions (all the units are in kcal/mol).

Sl no	Compound	ΔGbind (Kcal/mol)	ΔGbind Coulomb	ΔGbind Covalent	ΔGbind Vander	ΔGbind HBond	ΔGbind Lipophilic
1	Complex_1	-47.21025	-60.08772	2.78367	-29.40811	-0.14593	-34.87072
2	Complex_3	-67.26226	9.254793	6.30836	-34.90804	-2.67913	-29.17265
3	Complex_6	-49.89042	-17.04911	5.36441	-38.68284	-0.55515	-32.40361