"Polyphenol Explorer" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| PE000172 | 287.52 | -3.753 | 730.629 | 3.1929 | 16 | 12 | 3 | 0.208911021 | 0.37426 |
| PE000174 | 331.14 | -4.358 | 866.779 | 3.0945 | 18 | 15 | 3 | 0.18544934 | 0.31525 |
| PE000176 | 209.76 | -2.948 | 576.509 | 2.6499 | 12 | 9 | 3 | 0.282475185 | 0.50761 |
| PE000184 | 268.68 | -2.777 | 708.623 | 1.4148 | 16 | 11 | 3 | 0.153955727 | -4.0605 |
| PE000185 | 399.29 | -3.945 | 1026.9 | 1.6057 | 23 | 17 | 3 | 0.130964678 | -4.0404 |
| PE000186 | 268.68 | -2.777 | 708.623 | 1.4148 | 16 | 11 | 3 | 0.153955727 | -4.0605 |
| PE000187 | 379.06 | -4.074 | 996.877 | 2.2077 | 22 | 16 | 3 | 0.127448366 | -4.0605 |
| PE000188 | 209.76 | -2.948 | 576.509 | 2.6499 | 12 | 9 | 3 | 0.282475185 | 0.50761 |
| PE000189 | 430.52 | -5.542 | 1153.02 | 4.2357 | 24 | 19 | 3 | 0.140201467 | 0.50761 |
| PE000193 | 209.76 | -2.948 | 576.509 | 2.6499 | 12 | 9 | 3 | 0.282475185 | 0.50761 |
| PE000194 | 209.76 | -2.948 | 576.509 | 2.6499 | 12 | 9 | 3 | 0.282475185 | 0.50761 |
| PE000195 | 248.45 | -3.343 | 706.651 | 2.0106 | 15 | 10 | 3 | 0.145790567 | -5.3303 |
| PE000196 | 441.52 | -5.655 | 1155.03 | 3.8874 | 24 | 20 | 3 | 0.139234217 | 0.31525 |
| PE000197 | 220.76 | -3.623 | 592.551 | 3.1737 | 12 | 10 | 3 | 0.411999199 | 0.31525 |
| PE000198 | 551.9 | -6.952 | 1443.29 | 4.6803 | 30 | 25 | 3 | 0.105083942 | 0.31525 |
| PE000199 | 189.53 | -1.464 | 452.411 | -0.3284 | 11 | 8 | 2 | 0.408478619 | -4.2803 |
| PE000201 | 86.99 | -2.64 | 272.255 | 2.1557 | 5 | 3 | 0 | 0.651897367 | -0.22006 |
| PE000202 | 107.22 | -2.344 | 288.254 | 1.81 | 6 | 4 | 0 | 0.660058009 | -0.22006 |
| PE000203 | 96.22 | -2.658 | 302.281 | 2.0857 | 6 | 3 | 0 | 0.660146326 | -0.0783 |
| PE000206 | 245.29 | -2.437 | 596.536 | -1.0897 | 15 | 9 | 3 | 0.557398923 | 1.8875 |
| PE000207 | 234.29 | -2.751 | 610.563 | -0.814 | 15 | 8 | 3 | 0.542028117 | 2.0396 |
| PE000208 | 225.06 | -2.733 | 580.537 | -0.744 | 14 | 8 | 3 | 0.502289226 | 0.64246 |
| PE000209 | 225.06 | -2.733 | 580.537 | -0.744 | 14 | 8 | 3 | 0.566971046 | 1.8875 |
| PE000210 | 245.29 | -2.437 | 596.536 | -1.0897 | 15 | 9 | 3 | 0.493809121 | 0.64246 |
| PE000211 | 234.29 | -2.751 | 610.563 | -0.814 | 15 | 8 | 3 | 0.486047952 | 0.80116 |
