Table 6.

Comparison of pharmacophores of drugs.

Drug	Remdesivir	Ritonavir	Chloroquine	Darunavir	Lopinavir	Azithromycin	Elbasvir	DB01977	DB07132	DB07535
(Molinspiration) milogP	2.82	7.51	5	4.32	5.69	2.73	8.85	2.37	1.71	1.9
Total polar surface area (A2)	203.57	145.8	28.16	140.4	120	180.09	188.8	78.97	100.88	87.57
Number of atoms	42	50	22	38	46	52	65	22	21	19
Molecular weight	602.59	721	319.88	547.7	628.8	749	882	289.3	282.3	254.3
Number of bond donors	14	11	3	10	9	14	16	4	6	5
Number of bond acceptors	5	4	1	4	4	5	4	4	4	4
Number of violations	2	3	1	1	2	2	3	0	0	0
Number of rotatable bonds	14	18	8	12	15	7	13	3	3	3
Volume(A3)	523.04	663.1	313.12	490.5	608	736.4	799.4	264.4	247.9	229.1
Mutagenic	No	No	Yes	No	No	No	No	No	No	No
Tumorigenic	Yes	No	No	No	No	No	No	No	No	No
Irritant	Yes	No	Yes	No	Yes	No	No	No	No	No
Reporoductive effect	Yes	No	No	No	No	No	No	No	No	No
clogP	0.3	4.72	4.01	2.24	4.85	1.66	7.04	2.69	0.19	1.07
Solubility	−4.99	−6.07	−4.06	−3.96	−6.13	−3.09	−8.33	0.4	−2.54	−3.58
Druglikeness	−30.39	−8.93	7.39	−12.8	7.64	13.85	−7.68	−0.08	4.41	0.49
Drug-Score	0.05	0.13	0.25	0.29	0.17	0.48	0.06	0.59	0.92	0.71