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Table 4 In silico drug-likeness predictions of synthesized compounds computed by SwissADME

From: Synthesis, antibacterial and antioxidant activities of Thiazole-based Schiff base derivatives: a combined experimental and computational study

Compounds

HBAsa

HBDsb

MR

TPSA

iLogP

Lipinskib violations

7

4.00

2.00

85.29

93.95

2.54

–

8

2.00

0.00

81.25

53.49

3.07

–

9

5.00

1.00

92.09

119.54

2.10

–

10

4.00

0.00

90.07

99.31

2.71

–

11

6.00

0.00

98.89

145.13

2.34

–

Amoxicillin

6.00

4.00

94.59

158.26

0.95

–

  1. aHBAs = number of hydrogen bond acceptors
  2. bHBDs = number of hydrogen bond donors, MR = molar refractivity, and TPSA = topological polar surface area. Molecular weights for all the compounds are less than 400 g/mol