TABLE 3.

ADME parameters of newly designed compounds.

Compounds	Absorption			Distribution		Metabolism							Excretion
	Water solubility (Log mol/L)	Caco2 permeability (%) Absorbed	Intestinal absorption (human)	BBB permeability (Log BB)	CNS permeability (Log PS)	Substrate		inhibitor					Total Clearance (Log ml/min/kg)
						CYP
						2D6	3A4	1A2	2C19	2C9	2D6	3A4
T01	−3.393	0.374	98.24	−2.05	−2.824	No	Yes	No	No	Yes	No	Yes	0.267
T02	−3.364	0.129	96.121	−2.167	−3.218	No	Yes	No	No	Yes	No	Yes	−0.617
T03	−3.12	1.278	100	−2.157	−3.4	No	Yes	No	No	No	No	Yes	−0.458
T04	−3.839	0.735	87.94	−1.858	−3.127	No	Yes	No	Yes	No	No	Yes	−0.383
T05	−3.662	0.482	97.039	−1.998	−3.033	No	Yes	No	Yes	Yes	No	Yes	−0.466
T06	−3.425	0.479	90.46	−1.834	−3.011	No	Yes	No	Yes	Yes	No	Yes	−0.495
Molecule 22	−3.265	0.797	94.765	−1.915	−3.154	No	Yes	No	No	No	No	Yes	−0.01