Table 6. Drug-likeness and ADME Characteristics as Determined by PreADMET.

	drug-likeness		ADME characteristics
compounds	MDDR-like rule	Lipinski’s rule	log Po/wa	PPBb	HIAc	in vitro Caco2 permeability (nm/s)d	in vitro MDCK cell permeability (nm/s)e	in vivo BBB penetration ([brain]/[blood])f
1	nondrug-like	suitable	2.96	97.13	92.70	18.84	0.48	3.55
2	mid-structure	suitable	3.45	94.49	94.62	24.87	0.46	4.52
3	mid-structure	violated	6.74	100	94.78	22.36	0.52	6.44

^aThe log of the coefficient of solvent partitioning between 1-octanol and water.

^bPlasma protein binding (PPB) (weak binding: <90%; strong binding: >90%).

^cHuman intestinal absorption (HIA) (poor: 0–20%; moderate: 20–70%: good: 70–100%).

^dPermeability across Caco2 cells (low: 0–10 nm/s; medium: 10–100 nm/s; high: >100 nm/s).

^ePermeability across MDCK cells.

^fAbsorption by the central nervous system (low: <0.1; moderate: 0.1–2.0; high: >2.0).