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AMB Express

Table 2 The drug-likeliness properties of the ten phytocompounds (This table should be in line no. 280)

From: Phytocompounds as potential inhibitors of mycobacterial multidrug efflux pump Rv1258c: an in silico approach

S. No

LIGANDS

Molinspiration software

pkCSM server

Lipinski Filters server

DruLiTo software

SwissADME server

  

Mol. weight

LogP

H-bond acceptor

H-bond donor

N violations

Mol. weight

LogP

H-bond acceptor

H-bond donor

N violations

Mol. weight

LogP

H-bond acceptor

H-bond donor

N violations

Lipinski rule

Veber rule

Ghose rule

Lipinski rule

Veber rule

Ghose rule

1

N-transferuroyl-4’-O-methyldopamine

343.38

2.25

6

3

0

343.379

2.48

3

5

0

343

2.487099

6

3

0

Yes

Yes

Yes

Yes

Yes

Yes

2

Ellagic acid

302.19

0.94

8

4

0

302.194

1.318

8

4

0

302

1.241199

8

4

0

Yes

Yes

Yes

Yes

No, 1 violation

Yes

TPSA > 140

3

Abyssinone II

324.38

4.45

4

2

0

324.376

4.313

4

2

0

324

4.3129

4

2

0

Yes

Yes

Yes

Yes

Yes

Yes

4

Mollic acid glucoside

634.85

4.32

9

6

2

635.841

4.0286

8

6

2

634

4.0285

9

6

2

Yes

Yes

Yes

No

No

No

5

Glabridine

324.38

4.2

4

2

0

324.376

4.007

4

2

0

324

4.0006

4

2

1

Yes

Yes

Yes

Yes

Yes

Yes

6

Chrysoeriol

300.27

2.28

6

3

0

300.27

2.5854

6

3

0

300

2.4281

6

3

0

Yes

Yes

Yes

Yes

Yes

Yes

7

Naringenin

272.26

2.12

5

3

0

272.256

2.5099

5

3

0

272

2.5098

5

3

0

Yes

Yes

Yes

Yes

Yes

Yes

8

Luteolin

286.24

1.97

6

4

0

286.239

2.2824

6

4

0

286

2.1251

6

4

0

Yes

Yes

Yes

Yes

Yes

Yes

9

Isoliquiritigenin

256.26

2.77

4

3

0

256.257

2.6995

4

3

0

256

2.6994

4

3

0

Yes

Yes

Yes

Yes

Yes

Yes

10

Baicalein

270.24

2.68

5

3

0

270.24

2.5768

5

3

0

270

2.4195

5

3

0

Yes

Yes

Yes

Yes

Yes

Yes

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