Molecular Docking and Dynamic Simulation Revealed the Potential Inhibitory Activity of Opioid Compounds Targeting the Main Protease of SARS-CoV-2

Table 2

Lipinski’s drug-likeness of the opioid candidates.

Comp.	Solubility (mg/L)	Drug-likeness model score	Lipinski’s violations	Bioavailability score
1	1.76	0.76	0	0.55
2	2.45	0.73	0	0.55
3	4.01	-0.15	0	0.55
4	8.19	1.00	0	0.55
5	8.38	0.77	0	0.55
6	1.08	0.14	0	0.55
7	5.15	0.86	0	0.55
8	2.16	1.03	0	0.55
9	1.97	1.49	0	0.55
10	7.13	0.33	0	0.55
11	1.16	0.38	0	0.55
12	2.57	1.23	0	0.55
13	3.37	0.95	0	0.55
14	3.67	0.96	0	0.55
15	7.74	0.29	0	0.55