Table 5.

Therapeutic significant properties of top five hit molecules.

Ligand No.	CNS	QPlogPo/w	QPlogS	QPlogBB	QPPMDCK	Metab	QPlogKhsa
ZINC13144609	−2	0.421	−2.727	−2.005	44.317	4	−0.693
ZINC01581128	−2	0.689	−1.188	−1.896	1.152	9	−0.232
ZINC06062920	−2	0.457	−1.421	−2.09	0.729	8	−0.23
ZINC03022586	−2	−1.301	−2.892	−3.745	1.987	2	−1.097
ZINC00134422	−2	−0.8	−2.191	−2.579	5.219	2	−0.799
Rangea	−2 to +2	−2 to 6.5	−6.5 to 0.5	−3.0 to 1.2	<25 p >500 g	1–8	−1.5 to 1.5

^aRange: for 95% oral drugs.