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Table 2 Drug-likeness properties of ten top compounds

From: Structure-based design of some quinazoline derivatives as epidermal growth factor receptor inhibitors

Molecule

MW

TPSA

WLOGP

No. of H-bond donors

No of H-bond acceptors

RO5 violations

Molecule 3

501.46

114.47

4.44

3

9

1

Molecule 5

534.97

94.6

4.11

2

7

1

Molecule 6

500.52

94.6

4.46

2

7

1

Molecule 7

517.96

107.49

4.95

2

7

1

Molecule 9

400.43

85.37

3.54

2

5

0

Molecule 12

428.84

85.37

4.69

2

6

0

Molecule 22

557.62

97.84

4.39

2

8

1

Molecule 29

526

88.61

4.16

2

7

1

Molecule 34

560.04

124.89

4.61

2

8

1

Molecule 43

441.52

79.38

3.85

2

5

0