Table 3:

The optimal ranges of 10 properties that are used to screen nearly optimal compounds, including seven selected ADMET properties, two physicochemical properties, and one medicinal chemistry properties. The seven ADMET properties include Caco-2 (the human colon adenocarcinoma cell lines) permeability, F_20% (the human oral bioavailability 20%), Pgp-sub (the substrate of P-glycoprotein), Pgp-inh (the inhibitor of P-glycoprotein), VD (volumn density), T_1/2 (The half-life of a drug), and FDAMDD (The maximum recommended daily dose). Moreover, SAS represents the synthetic accessibility score, log P is the logarithm of the noctanol/water distribution coefficient, and log S indicates the logarithm of aqueous solubility value.

Property	Profile	Excellent range	Medium range
Absorption	Caco-2 permeability	> −5.15	/
Absorption	F2o%	0–0.3	0.3 – 0.7
Absorption	Pgp-sub	0 – 0.3	0.3 – 0.7
Absorption	Pgp-inh	0 – 0.3	0.3 – 0.7
Distribution	VD	0.04 – 20 L/kg	/
Excretion	T1/2	0–0.3	0.3 – 0.7
Toxicity	FDAMDD	0 – 0.3	0.3 – 0.7
Medicinal Chemistry	SAS	< 6	/
Physicochemical	log P	0 – 3 log mol/L	/
Physicochemical	log S	−4 – 0.5 log mol/L	/