TABLE 5.

Summary of ADMET profile.

S/N	Absorption			Distribution		Metabolism		Excretion		Toxicity
Ligand no	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	AMES toxicity	Max. tolerated the dose log mg/kg/day	Skin sensitization	Hepatotoxicity
01	−2.935	1.165	93.89	0.081	Yes	Yes	No	0.615	No	Yes	0.46	No	No
02	−4.162	1.053	94.52	−0.23	No	Yes	No	0.553	No	No	0.466	No	Yes
03	−4.085	0.992	94.12	−0.192	Yes	Yes	No	0.611	No	No	0.622	No	No
04	−2.91	0.138	66.07	−1.041	No	No	No	0.493	No	No	1.479	No	Yes
05	−2.919	−0.879	47.06	−1.219	No	No	No	0.388	No	No	1.223	No	Yes
06	−2.76	1.201	94.29	−0.056	No	Yes	No	0.599	No	No	0.55	No	Yes
07	−2.787	0.635	88.91	−0.721	No	Yes	No	0.676	No	No	0.72	No	Yes
08	−3.065	1.158	92.32	0.012	Yes	Yes	No	0.503	No	Yes	0.49	No	No
09	−3.679	1.222	93.36	−0.159	Yes	Yes	No	0.448	No	Yes	0.265	No	No