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Table 6 In silico drug-likeness predictions of isolated compounds computed by SwissADME

From: Antibacterial and antioxidant activities of extracts and isolated compounds from the roots extract of Cucumis prophetarum and in silico study on DNA gyrase and human peroxiredoxin 5

Compounds

Formula

Mol. Wt. (g/mol)

NHD

NHA

NRB

TPSA (A°2)

LogP iLogP)

Lipinski’s rule of Five Violation

1

C46H66O6

715.01

1

6

10

105.58

5.19

Yes

2

C22H30O4

358.47

1

4

0

71.44

2.4

0

3

C14H28O2

228.37

1

2

12

37.3

3.32

0

4

C29H48O

412.69

1

1

6

20.23

5.1

Yes

5

C29H48O

412.69

1

1

5

20.23

4.79

0

Ciprofloxacin

401.45

2

9

5

136.13

0.963

0

  1. NHD: Number of Hydrogen donor; NHA: Number of Hydrogen acceptor; NRB: Number of rotatable bonds; TPSA: total polar surface area