Table 4.
Compound | R | R′ | X | FLAP | sEH |
---|---|---|---|---|---|
ChemScore | GoldScore | ||||
Diflapolin | 34.98 | 79.78 | |||
5a | H | Me | O | 31.74 | 85.85 |
5b | H | H | O | 31.43 | 92.57 |
5c | Me | H | O | 31.76 | 86.58 |
5d | H | Me | S | 30.85 | 89.46 |
5e | H | H | S | 30.34 | 92.95 |
5f | Me | H | S | 33.64 | 95.70 |
6a | H | Me | O | 34.59 | 83.43 |
6b | H | H | O | 33.49 | 81.19 |
6c | Me | H | O | 35.16 | 81.26 |
6d | H | Me | S | 33.58 | 82.82 |
6e | H | H | S | 33.16 | 82.99 |
6f | Me | H | S | 34.10 | 83.33 |