"Polyphenol Explorer" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| PE000240 | 66.76 | -3.152 | 254.24 | 2.6814 | 4 | 2 | 0 | 0.68142195 | 0.28194 |
| PE000241 | 96.22 | -2.874 | 300.265 | 2.2657 | 6 | 3 | 0 | 0.703417825 | 0.40331 |
| PE000242 | 75.99 | -3.17 | 284.266 | 2.6114 | 5 | 2 | 0 | 0.688267107 | 0.40331 |
| PE000243 | 245.29 | -2.653 | 594.52 | -0.9097 | 15 | 9 | 3 | 0.567093323 | 2.3163 |
| PE000244 | 63.22 | -3.816 | 342.346 | 3.0928 | 6 | 0 | 0 | 0.367857322 | 0.35997 |
| PE000245 | 186.37 | -2.446 | 448.379 | 0.0007 | 11 | 7 | 2 | 0.411051595 | -3.2535 |
| PE000246 | 149.07 | -2.345 | 420.413 | 0.7172 | 9 | 6 | 1 | 0.415551362 | -5.3303 |
| PE000247 | 267.29 | -1.682 | 594.52 | -2.4917 | 15 | 11 | 3 | 0.164062055 | -1.9977 |
| PE000251 | 203.44 | -2.428 | 462.362 | -0.3489 | 12 | 7 | 2 | 0.614590283 | 0.34679 |
| PE000252 | 183.21 | -2.724 | 446.363 | -0.0032 | 11 | 6 | 2 | 0.623718017 | 0.34679 |
| PE000253 | 229.74 | -2.601 | 534.425 | -0.3366 | 14 | 7 | 3 | 0.334586567 | -6.7369 |
| PE000254 | 197.37 | -1.973 | 448.379 | -0.4237 | 11 | 8 | 2 | 0.450134306 | -1.9977 |
| PE000255 | 197.37 | -1.973 | 448.379 | -0.4237 | 11 | 8 | 2 | 0.270080583 | -1.9977 |
| PE000256 | 287.52 | -1.386 | 610.519 | -2.8374 | 16 | 12 | 3 | 0.096210461 | -1.9977 |
| PE000257 | 245.29 | -2.006 | 580.493 | -1.353 | 15 | 9 | 3 | 0.493134234 | 0.34498 |
| PE000258 | 367.81 | -1.861 | 828.68 | -3.5274 | 23 | 12 | 3 | 0.249445104 | -10.186 |
| PE000259 | 247.06 | -1.811 | 564.494 | -1.9816 | 14 | 10 | 3 | 0.261669589 | -4.1836 |
| PE000260 | 288.66 | -2.161 | 666.539 | -1.6903 | 18 | 9 | 3 | 0.272141663 | -7.2114 |
| PE000261 | 225.06 | -2.302 | 564.494 | -1.0073 | 14 | 8 | 3 | 0.504380515 | 0.34498 |
| PE000262 | 179.97 | -2.269 | 431.372 | -1.656 | 10 | 6 | 1 | 0.462770658 | -1.9253 |
| PE000263 | 86.99 | -2.856 | 270.239 | 2.3357 | 5 | 3 | 0 | 0.698147482 | 0.28194 |
| PE000264 | 66.76 | -3.152 | 254.24 | 2.6814 | 4 | 2 | 0 | 0.68142195 | 0.28194 |
| PE000265 | 75.99 | -3.17 | 284.266 | 2.6114 | 5 | 2 | 0 | 0.688267107 | 0.40331 |
| PE000266 | 86.99 | -2.856 | 270.239 | 2.3357 | 5 | 3 | 0 | 0.698147482 | 0.28194 |
| PE000267 | 177.14 | -2.269 | 432.38 | -0.078 | 10 | 7 | 1 | 0.457733598 | -1.9977 |
