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Table 2 Data for ADMET parameters

From: Investigating the binding affinity, molecular dynamics, and ADMET properties of 2,3-dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein

Drug candidate Human intestinal absorption (+ve/−ve) Blood–brain barrier (+ve/−ve) Human oral bioavailability (+ve/−ve) Water solubility
logS
Acute oral toxicity (kg/mol) Tetrahymenapyriformisp IGC50 (ug/L)
DHB 1 HIA+ BBB+ HOB − −4.249 2.885 2.08
DHB 2 HIA + BBB + HOB − −3.095 2.773 1.584
DHB 3 HIA + BBB + HOB − −3.095 2.694 2.032
DHB 4 HIA + BBB + HOB + −2.871 1.685 1.267
DHB 5 HIA + BBB + HOB − −2.605 1.514 1.223
DHB 6 HIA + BBB + HOB − −2.733 2.227 1.291
DHB 7 HIA + BBB + HOB − −2.851 2.15 1.256
DHB 8 HIA + BBB + HOB − −2.536 3.041 0.949
DHB 9 HIA + BBB + HOB + −2.546 2.672 0.996
DHB 10 HIA + BBB + HOB − −2.977 2.36 1.543
DHB 11 HIA + BBB + HOB + −3.196 2.43 1.4
DHB 12 HIA + BBB + HOB − −2.506 1.871 1.591
  1. The BBB+ means that the compound can penetrate the BBB. If a compound with the HIA% is greater than 30%, it is labeled as HIA+. HOB Compounds with logK(%F) > 0 were regarded as positives. T. pyriformis toxicity (TPT)