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. 2019 Feb 28;15(2):104–115. doi: 10.6026/97320630015104

Table 7. Comparative ADMET profile of the test ligands and the control is given (ec1, ec2 – established drugs, vs1, vs2 – virtual screened drug, all in the ascending order).

Compound HIA BBB AMES toxicity LD50
24889392(ec1) 0.9953 0.6667 0.5521 2.5432
24826799 (ec2) 1 0.9444 0.5331 2.8377
44598530 (vs1) 0.9709 0.5054 0.5673 2.6542
52934143(vs2) 0.9926 0.5117 0.5468 2.5484