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Table 3 Druglikeness scores of hit compounds

From: Characterisation of plasmodial transketolases and identification of potential inhibitors: an in silico study

Compounds MW HBD HBA LV LogP OB PAINs filter
SANC00107 448.38 4.00 11.00 1.00 0.86 Good Accepted
SANC00411 394.37 5.00 9.00 0.00 − 1.28 Good Accepted
SANC00620 476.43 7.00 9.00 1.00 − 1.18 Good Accepted
  1. MW molecular weight, LogP octanol/water partition coefficient, HBD hydrogen bond donor, HBA hydrogen bond acceptor, LV Lipinski violation, OB oral bioavailability, PAINS pan-assay interference compounds
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