Table 2.

Correlation between IC₅₀ and binding energy scores.

Compound ID	AChE (IC50 μM)	Binding energy score	BChE (IC50 μM)	Binding energy score
Tacrine (Ref.)	0.124 ± 0.02	−7.16	7.8 ± 0.06	−6.83
1	875 ± 3.30	5.8	163.5 ± 4.61	−3.12
2	42.5 ± 12.68	−6.64	458 ± 3.30	1.3
3a	46.25 ± 3.30	NA	1.2 ± 0.05	−6.05
3b	81.5 ± 3.30	NA	7.6 ± 0.15	−6.84
3c	137 ± 5.61	−5.2	367 ± 3.30	NA
3d	216 ± 9.34	−3.54	216 ± 3.05	−3.51
3e	222 ± 2.41	−3.57	222 ± 3.53	−3.53
3f	100 ± 5.53	−5.12	268 ± 3.05	NA
3h	116 ± 3.58	−5.63	233 ± 3.30	−3.86
3h	24.25 ± 3.30	NA	0.002 ± 0.0014	−7.64
4a	442 ± 3.30	NA	442 ± 3.30	1.1
4b	135 ± 3.31	−5.2	1.1 ± 0.088	−6.05
4c	129 ± 3.30	−5.3	3.4 ± 0.087	−5.3
5	163 ± 3.40	NA	46.7 ± 0.68	−6.13