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Table 9 Drug likeness prediction of the selected compounds and C22 compound based on Ghose, Muegge, Veber, and Egan rules, and their synthetic accessibility

From: In silico insights into the design of novel NR2B-selective NMDA receptor antagonists: QSAR modeling, ADME-toxicity predictions, molecular docking, and molecular dynamics investigations

Compounds

Muegge

Veber

Egan

Ghose

Synthetic accessibility

C33

Yes

Yes

Yes

Yes

3.23

 

C34

Yes

Yes

Yes

Yes

3.26

 

C35

Yes

Yes

Yes

Yes

3.50

 

C36

Yes

Yes

Yes

NO

3.33

 

C37

Yes

Yes

Yes

NO

3.33

 

C38

Yes

Yes

Yes

Yes

3.26

 

C39

Yes

Yes

Yes

Yes

3.28

 

C40

Yes

Yes

NO

Yes

3.30

 

C41

Yes

Yes

Yes

Yes

3.25

 

C42

Yes

Yes

Yes

Yes

3.21

 
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BMC Chemistry

ISSN: 2661-801X

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