. 2023 Oct 31;28(21):7363. doi: 10.3390/molecules28217363

Table 5.

Lipinski property comparisons of compound 2o, B and flumioxazin.

	2o	B	Flumioxazin
Structures
Interaction energy ^a (kcal/mol)	28.4152	43.7645	36.2907
MW ^a	307.227	380.329	354.332
HBAs ^a	3	5	4
HBDs ^a	0	0	0
RBs ^a	1	2	2
ARs ^a	2	2	1

^a Discovery Studio 3.5 for interaction energy, MW, rotatable bonds (RBs) and aromatic rings (ARs).