Table 2: The seven compounds obtained by molecular docking screening and their features.

Compound
(ZINC cod)
StructureMolecular weight*
(g⋅mol−1)
H-bond
donor*
H-bond
acceptor*
Rotatable bonds*

A
(1249551)
482.6151.17
B
(1280061)
478.6052.424
C
(1771471)
422.6122.245
D
(2417539)
466.5181.735
E
(4311794)
300.4011.031
F
(4372347)
424.6041.732
G
(4937122)
398.5041.121

Data from ZINC databank.