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Table 5 Drug likeness properties of ligands 8a-l

From: Novel quinazolines bearing 1,3,4-thiadiazole-aryl urea derivative as anticancer agents: design, synthesis, molecular docking, DFT and bioactivity evaluations

Ligand

MW

TPSA

GI

BBB

MlogP

Lipinski

N rotatable bond

N

H-bond acceptor

N

H-bond donor

C Log Po/w

8a

425.44

192.05

Low

No

1.48

Yes

7

7

2

2.24

8b

439.47

192.05

Low

No

1.71

Yes

7

7

2

2.64

8c

439.47

192.05

Low

No

1.71

Yes

7

7

2

2.64

8d

455.47

201.28

Low

No

1.22

Yes

8

8

2

2.23

8e

455.47

201.28

Low

No

1.22

Yes

8

8

2

2.29

8f

443.43

192.05

Low

No

1.86

Yes

7

8

2

2.60

8g

459.89

192.05

Low

No

1.98

Yes

7

7

2

2.84

8h

459.89

192.05

Low

No

1.98

Yes

7

7

2

2.79

8i

504.34

192.05

Low

No

2.10

Yes

7

7

2

2.88

8j

494.33

192.05

Low

No

2.48

Yes

7

7

2

3.29

8k

473.92

192.05

Low

No

2.21

Yes

7

7

2

3.13

8l

527.89

192.05

Low

No

2.82

Yes

8

10

2

3.85

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BMC Chemistry

ISSN: 2661-801X

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