Table 2 In-silico predicted physiochemical parameters of the test compounds

5a

326.39

1099.45

1

5

3.12

−3.62

0.19

98.23

5b

340.42

1135.79

1

5

3.3

−3.75

0.23

97.35

5c

340.42

1160.54

1

5

3.4

−4.21

0.17

96.65

5d

340.42

1160.72

1

5

3.43

−4.21

0.17

97.78

5e

356.42

1174.76

1

6

3.21

−3.83

0.11

97.21

5f

356.42

1175.85

1

6

3.21

−3.85

0.11

95.16

5g

344.38

1116.84

1

5

3.36

−4.01

0.30

96.45

5h

360.83

1137.53

1

5

3.59

−4.18

0.40

97.32

5i

360.83

1144.61

1

5

3.62

−4.36

0.37

96.15

5j

360.83

1144.83

1

5

3.62

−4.38

0.35

95.68

5k

371.39

1173.43

2

6

2.40

−3.78

−0.91

78.41

5l

394.39

1199.11

1

5

4.11

−5.08

0.45

94.32

5m

354.44

1187.59

1

5

3.66

−4.14

0.30

95.41

5n

354.44

1211.12

1

5

3.70

−4.62

0.17

97.16

5o

374.86

1194.24

1

5

3.92

−4.63

0.44

98.24

8a

356.42

1171.02

1

6

3.27

−4.02

−0.33

95.55

8b

356.42

1169.84

1

6

3.22

−4.13

−0.38

96.36

8c

356.42

1170.15

1

6

3.22

−4.14

−0.38

94.64

8d

344.38

1111.12

1

5

3.37

−4.29

−0.20

97.80

8e

344.38

1111.09

1

5

3.37

−4.29

−0.20

96.45

8f

360.83

1130.02

1

5

3.53

−4.51

−0.16

98.12

8g

360.83

1139.08

1

5

3.62

−4.66

−0.14

97.86

8h

360.83

1139.13

1

5

3.62

−4.66

−0.14

98.64

8i

405.29

1137.62

1

5

3.60

−4.61

−0.14

99.16

8j

405.29

1147.99

1

5

3.70

−4.77

−0.13

98.20

8k

405.29

1148.04

1

5

3.70

−4.77

−0.13

97.56

8l

351.40

1160.41

1

6

2.37

−4.87

−1.14

86.13

8m

368.43

1216.51

1

6

2.60

−4.12

−0.95

90.86

8n

394.39

1193.18

1

5

4.11

−5.36

−0.04

98.54

8o

354.44

1209.19

1

5

3.80

−5.05

−0.22

99.22

Efavirenz

315.67

880.03

1

3

3.52

−4.86

0.10

94