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. 2019 Feb 28;15(2):121–130. doi: 10.6026/97320630015121

Table 6. ADMET profile (Regression).

Virtual Screened Drug: CID122677576 Established Drug
Model Absorption Value Unit Value Unit
Aqueous solubility -3.643 LogS -3.0651 LogS
Caco-2 Permeability 0.0081 LogPapp,cm/s -0.3591 LogPapp,cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity 2.6698 LD50,mol/kg 3.4955 LD50,mol/kg
Fish Toxicity 1.6179 pLC50,mg/L 1.82 pLC50,mg/L
Tetrahymena Pyriformis Toxicity 0.3464 pIGC50,ug/L 0.2833 pIGC50,ug/L