Table 4 ADMET study of natural compounds.

From: Identification of new inhibitors against human Great wall kinase using in silico approaches

Compounds

QPlog Po/w

QPlogS

QPPCaco

% oral absorption

ZINC85597499

4.3

−5.586

99.344

88.444

UNPD178438

1.2

−4.896

10.893

40.095

ZINC14679203

4.2

−4.606

1134.142

100

UNPD218939

3.1

−4.256

76.729

79.128

UNPD72628

1.8

−3.913

36.846

66.086

Recommended Values

−2 to 6.5

−6.5 to 0.5

<25 poor >500 Great

<25% poor >80% high

  1. QPlogPo/w: Predicted octanol/water partition co-efficient log P
  2. QPlogS: Predicted aqueous solubility; S in mol/L
  3. QPPCaco: Predicted Caco-2 cell permeability in nm/s.