Table 4.

List of the results of the ligands druglikeness properties.

Drug Likeness Properties	Chloroquine	Isothymol	beta-D-Mannose	Captopril	Thymol	limonene	p-cymene	γ-terpinene
Molecular weight g/mol	319.87	220.31	180.16	217.29	150.22	136.23	134.22	136.23
Concensus Log Po/w	4.15	3.85	−2.62	0.62	2.84	3.36	3.19	3.05
Log S	−4.06	−3.56	0.25	−1.71	−2.54	−2.54	−2.83	−2.37
Num. H-bond acceptors	2	2	6	3	1	0	0	0
Num. H-bond donors	1	0	5	1	1	0	0	0
Molar Refractivity	97.41	67.10	35.74	59.97	48.01	47.12	45.99	47.12
Lipinski	Yes	Yes	Yes	Yes	Yes	Yes	Yes	Yes
Ghose	Yes	Yes	No	Yes	No	No	No	No
Veber	Yes	Yes	Yes	Yes	Yes	Yes	Yes	Yes
Egan	Yes	Yes	Yes	Yes	Yes	Yes	Yes	Yes
Muegge	Yes	Yes	No	Yes	No	No	No	No
Bioavailability score	0.55	0.55	0.55	0.56	0.55	0.55	0.55	0.55
Synthetic accessibility (SA)	2.76	1.96	4.08	2.47	1.00	3.46	1.00	3.11
TPSA (Ų)	28.16	26.30	110.38	96.41	20.23	0.00	0.00 Ų	0.00
No of rotatable bonds	8	4	1	4	1	1	1	1
Druglikeness score	7.39	−1.37	−3.78	−0.96	−3.02	−21.85	−5.63	−2.82
Drug-Score	0.30	0.31	0.51	0.63	0.18	0.06	0.22	0.29
Solubility	−4.06	−3.56	0.25	−1.71	−2.54	−2.54	−2.83	−2.37
Reproductive effective	Yes	Yes	Yes	Yes	No	No	Yes	Yes
irritant	No	No	Yes	Yes	Yes	No	No	No
Tumorigenic	Yes	Yes	Yes	Yes	Yes	No	No	Yes
Mutagenic	No	Yes	Yes	Yes	No	No	Yes	Yes