Table 4.

Theoretical ADMET data analysis.

Sl. No.	Absorption			Distribution		Metabolism		Excretion		Toxicity
	Water solubility Log S	Caco-2 permeability × 10−6	Human intestinal absorption (%)	VDss (human)	BBB permeability	CYP450 1A2 inhibitor	CYP450 2D6 substrate	Total clearance (ml/min/kg)	Renal OCT2 substrate	Max. tolerated the dose (log mg/kg/day)	Skin sensitization	Hepatotoxicity
01	−3.71	1.226	93.70	0.327	0.470	Yes	No	0.355	No	0.051	No	Yes
02	−4.193	1.08	95.43	0.402	0.274	Yes	No	0.468	No	−0.436	No	Yes
03	−4.881	1.054	94.24	0.371	0.437	Yes	No	0.156	No	0.473	No	Yes
04	−4.807	1.053	94.53	0.378	0.424	Yes	No	0.217	No	0.467	No	Yes
05	−5.064	1.3	96.56	−0.243	−0.013	Yes	No	0.213	No	0.193	No	Yes
06	−3.609	0.882	94.96	0.188	0.398	Yes	No	0.360	No	−0.046	No	Yes
07	−3.71	1.226	93.70	0.327	0.470	Yes	No	0.355	No	0.051	No	Yes
08	−3.607	1.519	93.27	0.915	0.373	Yes	Yes	1.123	No	0.276	No	Yes
09	−4.421	1.147	96.34	−0.134	0.173	Yes	No	0.132	No	0.514	No	Yes
10	−3.836	0.454	60.16	−0.744	−1.876	No	No	−0.117	No	0.568	No	Yes