Table 3. Compound 9 ADME Profile.

comp	Log Pa	MWb	Log Swc	tPSAd	HBAe	HBDf	Rotg	CACOh
9	3.73	389.27	–4.92	67.44	3	1	4	1015

^aLogarithm of the partition coefficient between n-octanol and water computed by the XLOGP3 method.

^bMolecular weight.

^cLog Sw represents the logarithm of compound water solubility computed by the ESOL method. Log Sw predicted compound aqueous solubility values: > −10: insoluble, > −6: poorly soluble, > −4: moderately soluble, > −2: soluble, > 0: high soluble.

^dMolecular polar surface area, this parameter has been shown to correlate with human intestinal absorption (<140).

^eNumber H-bond acceptors.

^fNumber H-bond donors.

^gNumber of rotatable bonds.

^hPredicted apparent Caco-2 cell permeability in nm/sec. <25 poor, >500 great nm/s.