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Table 2 Drug likeness of the potential inhibitors from swissadme server

From: Prospect into therapeutic potentials of Moringa oleifera phytocompounds against cancer upsurge: de novo synthesis of test compounds, molecular docking, and ADMET studies

Compound ID

Molecular weight

Hydrogen bonds

RotatableBonds

LogP (iLogPo/w)

TPSA

RO5 violation

Donor

Acceptor

ML2

128.26

0

0

3

2.79

0a

1

ML4

161.24

1

0

3

2.66

12.36

0

ML5

206.32

1

1

2

2.86

20.23

0

ML6

240.42

1

1

14a

4.23

20.23

1

ML7

296.53

1

1

13a

4.66

20.23

1

ML8

270.45

2

0

15a

4.41

26.3

1

ML9

652.94a

8

2

34a

7.58

119.36

2

ML10

296.53

1

1

13a

4.66

20.23

1

ML11

282.46

2

1

15a

4.27

37.3

1

ML12

324.54

2

0

12a

4.85

26.3

1

ML13

883.42a

6

0

51a

11.69

78.9

2

ML14

252.44

1

0

13a

4.07

17.07

1

ML15

390.56

4

0

18a

4.14

52.6

1

MS1

270.45

2

0

15a

4.41

26.3

1

MS2

652.94a

8

2

34a

7.58

119.36

2

MS3

296.49

2

0

16a

4.75

26.3

1

MS4

282.46

2

1

15a

4.27

37.3

1

MS5

281.48

1

1

15a

4.22

43.09

1

  1. aRO5 (Lipinski rule of five) violations, TPSA topological polar surface area, Log P octanol–water partition coefficient