"Polyphenol Explorer" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| PE000109 | 177.14 | -2.407 | 436.412 | 0.055 | 10 | 7 | 1 | 0.326006842 | -4.8731 |
| PE000110 | 236.06 | -2.236 | 568.526 | -1.272 | 14 | 9 | 3 | 0.257151246 | -4.1124 |
| PE000111 | 236.06 | -2.236 | 568.526 | -1.272 | 14 | 9 | 3 | 0.257151246 | -4.1124 |
| PE000112 | 256.29 | -1.94 | 584.525 | -1.5258 | 15 | 10 | 3 | 0.24868348 | -5.2375 |
| PE000113 | 197.37 | -2.111 | 452.411 | -0.2907 | 11 | 8 | 2 | 0.32078122 | -4.8731 |
| PE000115 | 118.22 | -2.225 | 290.27 | 1.6986 | 6 | 5 | 0 | 0.522462761 | -1.8278 |
| PE000116 | 186.37 | -2.152 | 450.395 | 0.0475 | 11 | 7 | 2 | 0.745087692 | 1.8995 |
| PE000117 | 127.45 | -1.945 | 304.253 | 0.9579 | 7 | 5 | 0 | 0.745824459 | 0.44477 |
| PE000118 | 166.14 | -2.448 | 434.396 | 0.3932 | 10 | 6 | 1 | 0.756448811 | 1.8995 |
| PE000119 | 206.6 | -1.856 | 466.394 | -0.2982 | 12 | 8 | 2 | 0.730415805 | 1.8995 |
| PE000120 | 206.6 | -1.645 | 466.394 | -0.8792 | 12 | 8 | 2 | 0.400670564 | -3.8607 |
| PE000121 | 147.68 | -1.649 | 320.252 | 0.6122 | 8 | 6 | 1 | 0.745459635 | 0.44477 |
| PE000122 | 107.22 | -2.241 | 288.254 | 1.3036 | 6 | 4 | 0 | 0.743108348 | 0.44477 |
| PE000124 | 110.38 | -1.764 | 290.27 | 1.5087 | 6 | 5 | 0 | 0.734229841 | 0.31525 |
| PE000125 | 110.38 | -1.764 | 290.27 | 1.5087 | 6 | 5 | 0 | 0.734229841 | 0.31525 |
| PE000126 | 130.61 | -1.468 | 306.269 | 1.163 | 7 | 6 | 1 | 0.735378792 | 0.31525 |
| PE000127 | 130.61 | -1.468 | 306.269 | 1.163 | 7 | 6 | 1 | 0.735378792 | 0.31525 |
| PE000128 | 177.14 | -2.642 | 442.375 | 2.2478 | 10 | 7 | 1 | 0.615692019 | 0.37426 |
| PE000129 | 197.37 | -2.16 | 458.374 | 2.0543 | 11 | 8 | 2 | 0.545493664 | -0.32874 |
| PE000133 | 217.6 | -3.159 | 564.498 | 1.0236 | 12 | 9 | 3 | 0.451096716 | 1.7946 |
| PE000134 | 284.36 | -3.851 | 716.602 | 1.9149 | 16 | 11 | 3 | 0.342434315 | 1.8247 |
| PE000135 | 284.36 | -4.617 | 716.602 | 2.8806 | 16 | 11 | 3 | 0.366157136 | 1.4858 |
| PE000136 | 351.12 | -4.729 | 868.707 | 2.654 | 20 | 13 | 3 | 0.281373552 | 1.7767 |
| PE000137 | 197.37 | -2.16 | 458.374 | 2.0543 | 11 | 8 | 2 | 0.545493664 | -0.32874 |
| PE000138 | 110.38 | -1.764 | 290.27 | 1.5087 | 6 | 5 | 0 | 0.734229841 | 0.31525 |
