Compounds

Molecular weight

Number of hydrogen bond donors

Number of hydrogen bond acceptors

Octanol/water partition coefficient (QPlogPo/w)

QPlogHERG

QPPMDCK

Campesterol

402.702

1

1.7

7.005

-4.113

1880.296

Carvacrol

156.267

1

1.7

2.459

-2.281

2123.9

Crategolic acid

476.738

4

6.8

3.913

-3.435

194.373

Ellagic acid

318.323

6

13.6

-2.397

-0.896

7.154

Eugenin

216.277

2

6.8

0.186

-1.516

979.328

Eugenitin

230.303

2

6.8

0.54

-1.369

1235.933

Eugenol

172.267

1

3.4

1.338

-0.822

2082.283

Ferulic acid

204.266

3

6.8

-0.347

-1.427

201.381

Gallic acid

178.185

5

8.5

-1.903

-1.781

24.819

Kaempferol

302.367

5

10.2

-1.017

-0.99

38.682

Myricetin

334.366

7

13.6

-2.326

-1.542

5.655

Oleanolic acid

460.739

3

5.1

4.979

-3.669

529.115

Quercetin

318.366

6

11.9

-1.604

-0.908

16.301

Rhamnetin

332.393

5

11.9

-1.074

-2.853

54.578

Salicylic acid

146.186

3

5.1

-0.563

0.49

287.837

Stigmasterol

416.729

1

1.7

7.331

-4.075

1880.391

Vanillin

160.213

2

5.1

-0.081

-0.451

553.933

Bicornin

1088.763

5

25

-3.521

-6.386

0.038

Biflorin

364.392

7

15.3

-2.169

-3.051

18.469

Caffeic acid

190.239

4

6.8

-0.989

-1.8

57.264