Table 1 The expected physicochemical properties and drug-likeness for substances 4, 6, 8, and 10 compared to forxiga and acarbose.

From: Dual α-amylase and α-glucosidase inhibition by 1,2,4-triazole derivatives for diabetes treatment

Compounds

a M.W. (g/mol)

b iLog Po/w

c Log S

d TPSA (Å)

e HBA

f HBD

g NRB

Lipinski violations

4

472.56

3.96

−5.41

111.41

5

1

10

0

6

474.53

3.53

− 5.33

131.64

6

2

10

0

8

502.58

4.28

−5.77

120.64

6

1

12

1

10

509.42

4.59

−6.37

94.34

4

1

9

2

Forxiga

408.87

2.18

−3.78

99.38

6

4

6

0

Acarbose

645.60

−6.67

2.57

329.01

19

14

13

3

  1. a MW molecular weight, b Log Po/w partition coefficient octanol/water, c Log S aqueous solubility, d TPSA topological polar surface area, e HBA number of H-bond acceptors, f HBD number of H-bond donors, g NRB number of rotatable bonds.
Back to article page