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Future Journal of Pharmaceutical Sciences

Table 3 ADME analyses of bioactive compounds of C.verticillata.

From: Integrating in silico molecular docking, ADMET analysis of C.verticillata with diabetic markers and in vitro anti-inflammatory activity

Name of the bioactive compound

Molecular

formula

Molecular

Weight

H donor

R bonds

H acceptor

Solubility

Logp 0/w

BA score

GI

BBB

Lipinski

2-Palmitoylglycerol

C19H38O4

330.5

2

18

4

MS

4.7

0.55

High

Yes

Yes

Loliolide

C11H16O3

196.2

1

0

3

VS

1.5

0.55

High

Yes

Yes

Dihydromonacolin L acid

C19H32O4

324.4

3

7

4

S

2.9

0.56

High

Yes

Yes

Pyro pheophorbide a

C33H34N4O3

534.6

3

5

6

MS

3.9

0.56

High

No

Yes

  1. H donor Hydrogen donor, R bonds Rotatable bonds, B.A score Bioavailability score, H acceptor Hydrogen acceptor, GI Gastrointestinal absorption, BBB Blood brain barrier
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