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. 2019 Feb 10;17:291–310. doi: 10.1016/j.csbj.2019.02.006

Table 8.

ADMET descriptors of the selected lead candidates.

Molecule AbsorptionLevel Solubility Solubility level Hepato toxicity PSA ADMET_BBB CYP2D6 AlogP98
ZINC68997780 0 −5.665 2 1.04041 99.923 −1.168 −8.93326 1.836
ZINC15018994 0 −3.343 3 0.192557 78.536 0.041 −5.35195 4.663
ZINC38550809 0 −5.991 2 −1.54694 57.007 0.385 −10.527 4.24