Table 3.

Data of chemical descriptors.

Drug no.	A = − LUMO	I = − HOMO	Energy = I–A	Hardness	Softness
01	− 0.704	− 8.397	7.693	3.846	0.2600
02	− 0.363	− 7.537	7.174	3.587	0.2788
03	− 0.206	− 7.608	7.402	3.701	0.2702
04	− 0.090	− 7.811	7.721	3.8605	0.2590
05	− 0.270	− 7.402	7.132	3.566	0.2804
06	− 0.076	− 7.688	7.612	3.806	0.2627