Skip to main content
Bulletin of the National Research Centre

Table 10 Predicted Drug-likeness properties of the designed compounds

From: In-silico activity prediction, structure-based drug design, molecular docking and pharmacokinetic studies of selected quinazoline derivatives for their antiproliferative activity against triple negative breast cancer (MDA-MB231) cell line

S/no

MW

TPSA

WLogP

HBA

HBD

SA

RO5 Violation

Drug-Likeness

1

560.67

109.60

5.89

4

1

3.98

2

Yes

2

576.66

129.83

5.6

5

2

3.99

2

Yes

3

512.62

100.81

4.22

4

0

3.73

2

Yes

4

484.57

123.59

3.74

4

1

3.47

0

Yes

5

552.47

97.57

5.3

4

0

3.57

2

Yes

6

540.63

110.04

3.56

5

0

3.95

1

Yes

7

484.57

123.59

3.74

4

1

3.47

0

Yes

8

499.58

149.61

3.33

4

2

3.56

0

Yes

9

500.57

143.82

3.45

5

2

3.57

1

Yes

10

561.65

117.8

5.52

5

1

3.9

2

Yes

  1. MW molecular weight, TPSA topological polar surface area, HBA hydrogen bond acceptors, HBD: hydrogen bond donors, SA synthetic accessibility, RO5 rule of five
Back to article page