The ADME predictions for the top 7 hits in the core hopping and glide docking.

aThe molecular mass (Mol_MW) should be less than 500 Daltons.
bThe hydrogen bond donors (Donor HB) should be not more than 5.
cThe hydrogen bond acceptors (AccptHB) should be not more than 10.
dThe predicted octanol/water partition coefficient (−0.4 to 5.6).
eThe van der Waals surface area of polar nitrogen and oxygen atoms (7.0 to 200.0).
fThe predicted aqueous solubility S (mol dm–3) is the concentration of the solute in a saturated solution that is in equilibrium with the crystalline solid (−6.5 to 0.5).
For comparison, the typical PPAR pan-agonists bezafibrate, Ly465608 and GW677954 are also involved.