Skip to main content

Table 1 Determination of drug likeness score of DHB through molinspiration online server

From: Investigating the binding affinity, molecular dynamics, and ADMET properties of 2,3-dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein

Drug

GPCR ligand

Ion channel modulator

Kinase inhibitor

Nuclear receptor ligand

Protease inhibitor

Enzyme inhibitor

DHB 1

−0.03

−0.07

−0.53

0.28

-0.21

0.13

DHB 2

0.17

0.00

−0.33

0.49

0.05

0.24

DHB 3

0.17

0.00

−0.27

0.46

0.10

0.22

DHB 4

−0.54

−0.34

−0.96

−0.14

−0.79

−0.21

DHB 5

−0.51

−0.23

−0.83

0.08

−0.83

−0.13

DHB 6

−0.35

−0.18

−0.61

0.14

−0.56

0.00

DHB 7

−0.40

−0.25

−0.86

−0.06

−0.61

−0.11

DHB 8

−0.28

−0.26

−0.48

−0.10

−0.38

0.03

DHB 9

−0.27

−0.16

−0.71

0.28

−0.45

0.07

DHB 10

−0.46

−0.23

−0.83

−0.05

−0.71

−0.14

DHB 11

−0.55

−0.25

−0.86

−0.12

−0.74

−0.22

DHB 12

−0.41

−0.14

−0.83

0.11

−0.68

−0.02