"Dengue" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 870402 | 113.67 | -3.072 | 325.323 | 2.1946 | 7 | 1 | 0 | 0.337352992 | -0.81156 |
| 876520 | 94.36 | -4.174 | 346.345 | 1.9391 | 7 | 2 | 0 | 0.746846551 | 2.656 |
| 883543 | 38.13 | -4.072 | 345.445 | 3.7608 | 4 | 0 | 0 | 0.704684261 | 4.1136 |
| 888626 | 105.32 | -5.847 | 337.334 | 2.4639 | 7 | 2 | 0 | 0.506651035 | 0.97182 |
| 903821 | 33.2 | -5.203 | 344.457 | 5.1773 | 3 | 0 | 1 | 0.48644559 | 3.7347 |
| 908511 | 51.89 | -4.169 | 329.402 | 2.471 | 4 | 2 | 0 | 0.76535094 | 4.3506 |
| 913174 | 39.34 | -3.362 | 319.407 | 2.4373 | 4 | 1 | 0 | 0.839749484 | 6.7273 |
| 917604 | 63.99 | -5.099 | 319.363 | 3.3651 | 5 | 1 | 0 | 0.63533514 | 3.7563 |
| 918538 | 92.34 | -3.651 | 346.406 | 2.677 | 6 | 2 | 0 | 0.517353841 | -0.8665 |
| 920365 | 113.67 | -3.037 | 339.35 | 2.1927 | 7 | 1 | 0 | 0.332152237 | -0.86295 |
| 941462 | 46.5 | -4.176 | 403.524 | 3.9608 | 5 | 1 | 0 | 0.194740009 | -7.3817 |
| 948278 | 99.26 | -4.169 | 348.353 | 1.9819 | 6 | 3 | 0 | 0.610139922 | 0.33617 |
| 957249 | 55.4 | -4.906 | 349.36 | 4.239 | 4 | 1 | 0 | 0.251149387 | -0.7615 |
| 967580 | 66.48 | -3.548 | 344.434 | 2.797 | 5 | 1 | 0 | 0.407787236 | -4.1037 |
| 969458 | 112.57 | -5.21 | 430.867 | 3.1973 | 7 | 3 | 0 | 0.376402782 | -0.75558 |
| 973900 | 107.86 | -3.536 | 333.367 | 0.9346 | 7 | 3 | 0 | 0.715741587 | 0.82047 |
| 976755 | 60.91 | -5.304 | 339.397 | 3.3251 | 4 | 1 | 0 | 0.607700424 | 3.8005 |
| 978344 | 91.42 | -6.163 | 426.471 | 3.5855 | 6 | 3 | 0 | 0.085824045 | -35.88 |
| 978386 | 75.63 | -5.87 | 359.38 | 3.8087 | 5 | 2 | 0 | 0.094964473 | -8.9001 |
| 981979 | 95.5 | -4.547 | 378.427 | 2.9164 | 6 | 3 | 0 | 0.537008879 | 0.2336 |
| 981981 | 95.5 | -4.547 | 378.427 | 2.9164 | 6 | 3 | 0 | 0.537008879 | 0.2336 |
| 982132 | 95.5 | -4.547 | 378.427 | 2.9164 | 6 | 3 | 0 | 0.537008879 | 0.2336 |
| 982175 | 89.95 | -4.542 | 443.502 | 3.915 | 7 | 2 | 0 | 0.585552813 | 6.8781 |
| 984343 | 88.16 | -4.585 | 423.536 | 3.7253 | 6 | 2 | 0 | 0.197749888 | -0.63306 |
| 985813 | 63.99 | -5.325 | 381.434 | 3.5973 | 5 | 1 | 0 | 0.576132732 | 5.3036 |
