Table 2.
Compounds | MW | ED | ED[a] | Residue |
---|---|---|---|---|
6a | 370.13 | −2.381 | −2.368 | −0.013 |
6b | 384.14 | −2.168 | −2.197 | 0.029 |
6c | 384.14 | −2.385 | −2.401 | 0.016 |
6d | 384.14 | −2.890 | −2.907 | 0.017 |
6e | 400.14 | −2.333 | −2.317 | −0.016 |
6f | 400.14 | −2.587 | −2.578 | −0.009 |
6g | 388.12 | −2.057 | −2.079 | 0.022 |
6h | 404.09 | −2.245 | −2.246 | 0.001 |
6i | 404.09 | −2.407 | −2.400 | −0.007 |
6j | 438.05 | −2.267 | −2.282 | 0.015 |
6k | 448.04 | −2.304 | −2.264 | −0.040 |
6l | 448.04 | −2.262 | −2.260 | −0.002 |
6m | 448.04 | −2.452 | −2.443 | −0.009 |
6n | 438.12 | −2.214 | −2.225 | 0.011 |
6o | 415.11 | −2.231 | −2.218 | −0.013 |
6p * | 415.11 | −2.372 | −2.360 | −0.012 |
ED: experimental value; ED[a]: predictive value; *: test-set compound.