Table 2.

Docking scores calculated for the FDI derivatives during the MOE docking protocol.

Compound	S (kcal/mol) a	R1	R2
FDI-6	−5.3383	-F	-H
1	−5.6402	-F	-CH3
2	−5.4899	-F	-CN
3	−5.9180	-F	-NO2
4	−5.4391	-F	-CF3
5	−5.5565	-Cl	-H
6	−7.2807	-Cl	-CN
7	−6.1224	-Cl	-NO2
8	−5.5823	-Cl	-CF3
9	−5.6117	-Br	-H
10	−5.8423	-Br	-CH3
11	−5.9348	-Br	-CN
12	−6.1845	-Br	-NO2
13	−5.7709	-Br	-CF3
14	−5.6386	-I	-H
15	−5.5661	-I	-CH3
16	−5.8317	-I	-CN
17	−5.7237	-I	-NO2
18	−5.7932	-I	-CF3

^a S corresponds to the score of the last stage, in this case, calculated under the Generalized-Born Volume Integral/Weighted Surface area scoring function (GBVI/WSA dG) in kcal/mol.