"Polyphenol Explorer" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| PE000212 | 214.06 | -3.047 | 594.564 | -0.4683 | 14 | 7 | 3 | 0.548319345 | 2.0396 |
| PE000213 | 214.06 | -3.047 | 594.564 | -0.4683 | 14 | 7 | 3 | 0.491689428 | 0.80116 |
| PE000214 | 214.06 | -3.047 | 594.564 | -0.4683 | 14 | 7 | 3 | 0.548319345 | 2.0396 |
| PE000215 | 304.21 | -2.619 | 742.677 | -2.7333 | 19 | 11 | 3 | 0.2754293 | -2.263 |
| PE000216 | 166.14 | -2.526 | 434.396 | 0.1664 | 10 | 6 | 1 | 0.413427244 | -3.7146 |
| PE000217 | 268.43 | -2.888 | 666.583 | -1.0813 | 17 | 8 | 3 | 0.264646402 | -7.0782 |
| PE000218 | 75.99 | -2.954 | 286.282 | 2.4314 | 5 | 2 | 0 | 0.648973062 | -0.0783 |
| PE000219 | 166.14 | -2.526 | 434.396 | 0.1664 | 10 | 6 | 1 | 0.413427244 | -3.7146 |
| PE000220 | 66.76 | -2.936 | 256.256 | 2.5014 | 4 | 2 | 0 | 0.639299709 | -0.22006 |
| PE000221 | 86.99 | -3.579 | 340.374 | 4.1782 | 5 | 3 | 0 | 0.506544368 | -0.34211 |
| PE000222 | 86.99 | -3.579 | 340.374 | 4.1782 | 5 | 3 | 0 | 0.506544368 | -0.34211 |
| PE000223 | 86.99 | -4.555 | 408.492 | 6.35 | 5 | 3 | 1 | 0.245380283 | -1.6881 |
| PE000224 | 75.99 | -3.893 | 354.401 | 4.4539 | 5 | 2 | 0 | 0.482764026 | -0.16737 |
| PE000225 | 186.37 | -2.23 | 450.395 | -0.1793 | 11 | 7 | 2 | 0.407367908 | -3.7146 |
| PE000226 | 75.99 | -2.954 | 286.282 | 2.4314 | 5 | 2 | 0 | 0.648973062 | -0.0783 |
| PE000228 | 86.99 | -2.856 | 270.239 | 2.3357 | 5 | 3 | 0 | 0.418888489 | 0.28194 |
| PE000229 | 107.22 | -2.56 | 286.238 | 1.99 | 6 | 4 | 0 | 0.709567952 | 0.28194 |
| PE000232 | 234.29 | -2.967 | 608.547 | -0.634 | 15 | 8 | 3 | 0.54831817 | 2.463 |
| PE000233 | 225.06 | -2.949 | 578.521 | -0.564 | 14 | 8 | 3 | 0.575541933 | 2.3163 |
| PE000234 | 234.29 | -2.967 | 608.547 | -0.634 | 15 | 8 | 3 | 0.505658174 | 1.2197 |
| PE000235 | 225.06 | -2.949 | 578.521 | -0.564 | 14 | 8 | 3 | 0.525422944 | 1.0662 |
| PE000236 | 72.45 | -3.834 | 372.372 | 3.0228 | 7 | 0 | 0 | 0.215681358 | 0.35997 |
| PE000237 | 81.68 | -3.852 | 402.398 | 2.9528 | 8 | 0 | 0 | 0.20913375 | 0.35997 |
| PE000238 | 72.45 | -3.834 | 372.372 | 3.0228 | 7 | 0 | 0 | 0.215681358 | 0.35997 |
| PE000239 | 299.66 | -2.11 | 638.485 | -2.5356 | 18 | 10 | 3 | 0.458614875 | 0.51209 |
