Table 5.

Druggability of top, multi-targeting compounds according to Lipinski’s rule of five

Cpd	MW <500	#H-bond acceptors <10	#H-bond donors <5	Lipophilicity MLogP<5	Lipinski violations	Drug-likeness	Target
1	538.46	10	6	0.25	2	No	PLpro, 3CLpro, RdRp, helicase, nsp10, nsp16, nsp15
2	426.72	1	0	6.92	1	Yes	PLpro, RdRp
3	570.8	4	0	5.03	2	No	PLpro, 3CLpro, RdRp, nsp16
4	538.46	10	6	0.25	2	No	PLpro, 3CLpro, RdRp, helicase, nsp10, nsp16, nsp15
5	472.7	4	3	4.97	1	Yes	PLpro, RdRp
8	538.46	10	6	0.25	2	No	PLpro, 3CLpro, helicase, nsp10
9	782.53	22	13	− 2.56	3	No	PLpro, RdRp, nsp10
10	456.7	3	2	5.82	1	Yes	PLpro, RdRp
11	540.47	10	3	0.41	2	No	3CLpro, nsp10
12	498.74	4	1	5.97	1	Yes	3CLpro, nsp15
13	542.49	10	6	0.58	2	No	3CLpro, helicase, nsp16, nsp15
14	556.47	11	7	− 0.08	3	No	3CLpro, helicase, nsp15
15	538.46	10	5	0.52	1	Yes	3CLpro, RdRp, helicase, nsp10, nsp15
17	520.65	8	4	1.95	1	Yes	3CLpro, nsp10, nsp15
18	992.64	28	14	− 3.39	3	No	RdRp, np16
19	756.88	10	8	3.18	2	No	RdRp, helicase, nsp10, nsp16
20	1008.75	28	14	− 3.39	3	No	RdRp, nsp10, nsp16
23	578.52	14	8	− 2.96	3	No	helicase, nsp10, nsp16, nsp15
25	516.45	12	7	− 0.35	3	No	nsp10, nsp16, nsp15
26	516.45	12	7	− 0.35	3	No	nsp10, nsp16, nsp15