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Table 2 Drug-likeness properties of the top-two ligand

From: Bioinsecticidal activity of actinomycete secondary metabolites against the acetylcholinesterase of the legume’s insect pest Acyrthosiphon pisum: a computational study

 

MW g/mol

logP

Log S

HBA

HBD

TPSA (Å2)

AMR

nRB

Lipinski

Ghose

Veber

Egan

Muegge

Diazepinomicin

462.58

5.42

−6.73

4

4

98.48

142.09

8

Yes

No

Yes

No

Yes

Hygromycin

511.48

−1.47

−1.54

12

7

204.47

118.27

7

No

No

No

No

No

  1. HBA Num. H-bond acceptors, HBD Num. H-bond donors, nRB Num. rotatable bonds, AMR atom molar refractivity