"Polyphenol Explorer" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| PE000268 | 96.22 | -2.874 | 300.265 | 2.2657 | 6 | 3 | 0 | 0.703417825 | 0.40331 |
| PE000269 | 85.22 | -3.188 | 314.292 | 2.5414 | 6 | 2 | 0 | 0.679576303 | 0.40331 |
| PE000270 | 186.37 | -2.446 | 448.379 | 0.0007 | 11 | 7 | 2 | 0.246630957 | -3.2535 |
| PE000271 | 103.68 | -3.224 | 374.344 | 2.4014 | 8 | 2 | 0 | 0.234453188 | 0.40331 |
| PE000272 | 94.45 | -3.206 | 344.318 | 2.4714 | 7 | 2 | 0 | 0.240283947 | 0.40331 |
| PE000273 | 83.45 | -3.52 | 358.345 | 2.7471 | 7 | 1 | 0 | 0.229576055 | 0.40331 |
| PE000274 | 116.45 | -2.578 | 316.264 | 1.92 | 7 | 4 | 0 | 0.427820963 | 0.40331 |
| PE000275 | 105.45 | -2.892 | 330.291 | 2.1957 | 7 | 3 | 0 | 0.332364168 | 0.40331 |
| PE000276 | 94.45 | -3.206 | 344.318 | 2.4714 | 7 | 2 | 0 | 0.320378597 | 0.40331 |
| PE000277 | 94.45 | -3.206 | 344.318 | 2.4714 | 7 | 2 | 0 | 0.240283947 | 0.40331 |
| PE000278 | 127.45 | -2.264 | 302.237 | 1.6443 | 7 | 5 | 0 | 0.429835872 | 0.28194 |
| PE000279 | 186.37 | -2.657 | 448.379 | 0.5817 | 11 | 7 | 2 | 0.449427715 | 2.3178 |
| PE000280 | 107.22 | -2.56 | 286.238 | 1.99 | 6 | 4 | 0 | 0.709567952 | 0.28194 |
| PE000281 | 268.43 | -2.726 | 650.54 | -1.3179 | 17 | 8 | 3 | 0.271720918 | -10.528 |
| PE000282 | 96.22 | -2.874 | 300.265 | 2.2657 | 6 | 3 | 0 | 0.703417825 | 0.40331 |
| PE000283 | 234.29 | -2.32 | 594.52 | -1.0773 | 15 | 8 | 3 | 0.487771653 | 0.50251 |
| PE000284 | 277.66 | -2.475 | 680.566 | -1.4146 | 18 | 8 | 3 | 0.265486252 | -7.0588 |
| PE000285 | 175.37 | -2.76 | 462.406 | 0.2764 | 11 | 6 | 2 | 0.398455996 | -3.0787 |
| PE000286 | 218.74 | -2.915 | 548.452 | -0.0609 | 14 | 6 | 3 | 0.320310069 | -6.5738 |
| PE000287 | 279.43 | -2.406 | 622.486 | -2.1899 | 17 | 9 | 3 | 0.375500969 | -0.79321 |
| PE000288 | 304.21 | -2.835 | 740.662 | -2.5533 | 19 | 11 | 3 | 0.094013564 | -3.0237 |
| PE000290 | 107.22 | -2.787 | 286.238 | 1.8359 | 6 | 4 | 0 | 0.398602315 | -0.082832 |
| PE000291 | 127.45 | -2.491 | 302.237 | 1.4902 | 7 | 5 | 0 | 0.241775079 | -0.082832 |
| PE000292 | 206.6 | -2.191 | 464.378 | -0.3469 | 12 | 8 | 2 | 0.398671092 | -3.6679 |
| PE000293 | 206.6 | -2.191 | 464.378 | -0.3469 | 12 | 8 | 2 | 0.398671092 | -3.6679 |
