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Table 4 Drug-likeness predictions of compounds 7a-l computed by SwissADME

From: Synthesis, antiplasmodial activity and in silico molecular docking study of pinocembrin and its analogs

S. No.

Formula

Mol.Wt. (g/mol)

NHD

NHA

NRB

TPSA (A°2)

LogP (cLogP)

Lipinski’s rule of Five Violation

7a

C15H12O4

256.25

2

4

1

66.76

2.11

0

7b

C17H16O6

316.31

2

6

3

85.22

2.71

0

7c

C15H11ClO4

290.7

2

4

1

66.76

2.37

0

7d

C18H18O7

346.33

2

7

4

94.45

2.9

0

7e

C15H10Cl2O4

325.14

2

4

1

66.76

2.43

0

7f

C15H11ClO4

290.7

2

4

1

66.76

2.36

0

7g

C15H11ClO4

290.7

2

4

1

66.76

2.39

0

7h

C15H10Cl2O4

325.14

2

4

1

66.76

2.58

0

7i

C15H10Cl2O4

325.14

2

4

1

66.76

1.91

0

7j

C15H12O4

325.14

2

4

1

66.76

2.53

0

7k

C17H16O6

325.14

2

4

1

66.76

2.57

0

7l

C15H11ClO4

325.14

2

4

1

66.76

2.56

0

CQ

C18H26ClN3

319.87

1

2

8

28.16

3.95

0

  1. NHD Number of Hydrogen donor, NHA Number of Hydrogen acceptor, NRB Number of rotatable bonds, TPSA total polar surface area, CQ chloroquine
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BMC Chemistry

ISSN: 2661-801X

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