Table 4 Predicted physico-chemical properties of the best SapM inhibitors obtained from SwissADME51.

From: Discovery of uncompetitive inhibitors of SapM that compromise intracellular survival of Mycobacterium tuberculosis

N

MW (Da)

HBA

HBD

LogP

HAC

TPSA (Å2)

Solubility (mg/ml)

1

268.2

6

4

 − 1.38

20

158.08

5.2

2

278.2

8

4

 − 0.28

20

141.34

1.3

13

268.2

6

4

 − 1.38

20

158.08

5.2

  1. MW molecular weight, HBA number of hydrogen bond acceptors, HBD number of hydrogen-bond donors, LogP partition coefficient, HAC heavy atoms count, TPSA total polar surface.
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