Table 11 Predicted drug-likeness properties of some selected arylimidamide-azole derivatives and the newly designed analogues

Six (6) arylimidamide-azole hybrids with the highest pIC₅₀

21

469.58

85.05

2.78

2

5

12

 − 5.54

3.60

0

YES

22

497.63

85.05

3.17

2

5

14

 − 6.01

3.83

0

YES

26

497.63

85.05

3.17

2

5

14

 − 6.01

3.80

0

YES

31

441.52

85.05

2.38

2

5

11

 − 4.96

3.28

0

YES

33

469.58

85.05

2.78

2

5

13

 − 5.42

3.51

0

YES

36

555.71

94.28

3.21

2

6

16

 − 6.68

4.34

1

YES

Newly designed arylimidamide-azole analogs

36a

583.76

94.28

3.57

2

6

16

 − 7.06

4.59

1

YES

36b

551.68

94.28

3.07

2

6

14

 − 6.68

2.67

1

YES

36c

581.75

94.28

3.50

2

6

15

 − 7.05

2.78

1

YES

36d

579.73

94.28

3.44

2

6

14

 − 7.06

3.02

1

YES

36e

630.22

94.28

4.13

2

6

15

 − 7.96

3.01

1

YES

36f

664.66

94.28

4.30

2

6

15

 − 8.36

3.25

2

NO

36 g

692.72

94.28

4.65

2

6

15

 − 8.97

2.85

2

NO