Table 6.
Cpd. ID | AChE Rule | AChE QSAR Prediction | AChE Docking Scores (kCal/mol) | BACE1 Rule | AChE QSAR Prediction | BACE1 Docking Scores (kCal/mol) |
---|---|---|---|---|---|---|
M02 | - | 2/3 | −14.84 | Rule 1 | 2/3 | −10.75 |
M06 | - | 2/3 | −12.31 | Rule 1 | 3/3 | −10.92 |
M07 | Rule 4 | 2/3 | −15.54 | Rule 1 | 2/3 | −14.89 |
M09 | - | 3/3 | −14.70 | Rule 2 | 2/3 | −11.80 |
M13 | - | 3/3 | −18.30 | Rule 3 | 3/3 | −15.82 |
M14 | Rule 4 | 3/3 | −19.30 | - | 2/3 | −16.38 |
M17 | Rule 4 | 2/3 | −21.20 | - | 3/3 | −12.33 |
M18 | Rule 4 | 3/3 | −18.71 | Rule 1 | 3/3 | −16.14 |
M19 | Rule 4 | 3/3 | −16.90 | - | 2/3 | −15.32 |
M27 | Rule 3 | 3/3 | −19.43 | Rule 1 | 3/3 | −16.11 |
M30 | Rule 3 | 3/3 | −17.42 | Rule 1 | 3/3 | −14.75 |
M96 | - | 3/3 | −18.80 | Rule 2 | 3/3 | −17.03 |
M97 | - | 3/3 | −18.50 | Rule 2 | 3/3 | −16.52 |