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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