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Table 2 Pharmacokinetic profiles of top 30 active ingredients of LHQW.

From: Exploring the mechanism of Lianhuaqingwen (LHQW) in treating chronic bronchitis based on network pharmacology and experimental validation

Active ingredients

Physicochemical properties of drugs

Pharmacokinetics

Generic prediction

MW

(g/mol)

Rotatable bonds

H-bond acceptors

H-bond donors

XLOGP3

ESOL

Log S

Ali

Log S

GI absorption

BBB permeant

Pgp substrate

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability

Score

Quercetin

302.24

1

7

5

1.54

− 3.16

− 3.91

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Kaempferol

286.24

1

6

4

1.9

− 3.31

− 3.86

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Luteolin

286.24

1

6

4

2.53

− 3.71

− 4.51

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Naringenin

272.25

1

5

3

2.52

− 3.49

− 3.99

High

No

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Glabridin

324.37

1

4

2

3.89

− 4.61

− 4.83

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Acacetin

284.26

2

5

2

3.35

− 4.14

− 4.71

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Aloe-emodin

270.24

1

5

3

1.82

− 3.04

− 3.43

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Wogonin

284.26

2

5

2

3.49

− 4.23

− 4.85

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Genkwanin

284.26

2

5

2

3.35

− 4.14

− 4.71

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

7-methoxy-2-methyl isoflavone

311.29

3

5

0

3.26

− 4.14

− 4.72

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Licochalcone B

286.28

4

5

3

2.6

− 3.41

− 4.08

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Formononetin

268.26

2

4

1

2.8

− 3.73

− 3.71

High

Yes

No

Yes

Yes

Yes

Yes

Yes

0.55

Licochalcone a

338.4

6

4

2

4.9

− 4.98

− 6.04

High

Yes

No

Yes

Yes

Yes

Yes

Yes

0.55

Isorhamnetin

316.26

2

7

4

1.87

− 3.36

− 4.02

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Irisolidone

314.29

3

6

2

2.96

− 3.97

− 4.49

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

Medicarpin

270.28

1

4

1

2.77

− 3.64

− 3.43

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Vestitol

272.3

2

4

2

2.94

− 3.69

− 3.84

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Shinpterocarpin

322.35

0

4

1

3.56

− 4.45

− 4.25

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

l-SPD

327.37

2

5

2

2.59

− 3.74

− 3.54

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Licoagrocarpin

338.4

3

4

1

4.54

− 4.96

− 5.27

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Glypallichalcone

284.31

5

4

1

3.28

− 3.76

− 4.13

High

Yes

No

Yes

Yes

Yes

Yes

Yes

0.55

3'-methoxyglabridin

354.4

2

5

2

3.86

− 4.68

− 4.99

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

3'-hydroxy-4'-O-methylglabridin

354.4

2

5

2

3.86

− 4.68

− 4.99

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

1-methoxyphaseollidin

354.4

3

5

2

4.18

− 4.81

− 5.32

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

phaseol

336.34

2

5

2

4.69

− 5.25

− 6.18

High

No

No

Yes

Yes

Yes

Yes

Yes

0.55

bicuculline

367.35

1

7

0

2.61

− 4.02

− 3.66

High

Yes

No

Yes

Yes

Yes

Yes

Yes

0.55

7-acetoxy-2− methylisoflavone

294.3

3

4

0

3.22

− 4.03

− 4.08

High

Yes

No

Yes

Yes

Yes

Yes

Yes

0.55

Estrone

270.37

0

2

1

3.13

− 3.71

− 3.58

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Phaseolinisoflavan

324.37

1

4

2

3.89

− 4.61

− 4.83

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

Machiline

285.34

3

4

3

2.58

− 3.46

− 3.52

High

Yes

Yes

Yes

Yes

Yes

Yes

Yes

0.55

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Respiratory Research

ISSN: 1465-993X

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