Table 2.

QikProp ADME Predictions with ranges as described for the program: CNS, Predicted central nervous system activity on a −2 (inactive) to +2 (active) scale; QPlogPo/w, predicted octanol/water partition coefficient (−2.0–6.5); QPPCaco, Predicted apparent Caco-2 cell permeability in nm/sec (<25 poor, >500 great); QPlogBB, predicted brain/blood partition coefficient (−3.0–1.2); HOralAbs, predicted qualitative human oral absorption (1, 2, or 3 for low, medium, or high); Ro5, number of violations of Lipinski’s rule of five; and Ro3, number of violations of Jorgensen’s rule of three.

Compound	Predicted ADME Properties
	CNS	QPlogPo/w	QPPCaco	QPlogBB	HOralAbs	Ro5	Ro3
13	−1	2.602	906.463	−0.722	3	0	0