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Table 5 Drug likeness characteristics of synthesized (E)-2-(3-(substitutedstyryl)-5-(substitutedphenyl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole derivatives

From: Synthesis, in silico studies and biological screening of (E)-2-(3-(substitutedstyryl)-5-(substitutedphenyl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole derivatives as an anti-oxidant, anti-inflammatory and antimicrobial agents

Comp

miLog Pa

Log Sb

(mol/L)

TPSAc

(Ã…2)

MWd

nONe

nOHNHf

nvoilatiog

nroth

Z1

4.01

− 7.13

27.97

454.43

3

0

0

4

Z2

4.88

− 7.13

28.49

450.39

3

0

0

4

Z3

4.44

− 6.582

120.14

471.50

9

0

0

6

Z4

6.49

− 6.582

120.14

471.50

9

0

1

6

Z5

6.21

− 6.582

120.14

471.50

9

0

1

6

Z6

4.65

− 7.134

28.49

450.39

3

0

0

4

Z7

4.57

− 5.07

68.95

413.50

5

2

0

4

Z8

5.61

− 5.07

68.95

413.50

5

2

1

4

Z9

4.18

− 7.33

28.49

539.30

3

0

1

4

Z10

7.47

− 6.35

28.49

409.56

3

0

1

4

Z11

6.69

− 5.698

46.96

441.56

5

0

1

6

Z12

6.57

− 5.662

28.49

381.50

3

0

1

4

Z13

3.90

− 6.29

28.49

417.48

3

0

0

4

Z14

4.43

− 5.698

46.96

441.56

5

0

1

6

Z15

6.41

− 5.698

46.96

441.56

5

0

1

6

Z16

8.13

− 7.33

28.49

539.30

3

0

2

4

Z17

8.65

− 8.606

28.49

519.28

3

0

2

4

Z18

8.65

− 8.606

28.49

519.28

3

0

2

4

Z19

6.48

− 5.734

65.43

501.61

7

0

2

8

Z20

5.83

− 5.77

83.90

561.66

9

0

2

10

  1. amiLog P Logarithm of partition coefficient between n-octanol and water
  2. bLogS Solublity
  3. cTPSA Topological polar surface area
  4. dMW Molecular weight
  5. enON Number of hydrogen bond acceptor
  6. fnOHNH Number of hydrogen bond donor
  7. gnvoilations Number of violations
  8. hnrot Number of rotatable bonds