"Dengue" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 582460 | 102.5 | -4.624 | 437.519 | 2.8464 | 7 | 3 | 0 | 0.116860162 | -3.6984 |
| 595709 | 39.72 | -4.424 | 389.493 | 4.6097 | 4 | 1 | 0 | 0.506565508 | 0.99054 |
| 598176 | 37.38 | -5.46 | 406.278 | 4.2754 | 3 | 0 | 0 | 0.275072248 | 1.3908 |
| 598762 | 37.38 | -5.204 | 392.251 | 3.6063 | 3 | 0 | 0 | 0.303827459 | 1.0421 |
| 605431 | 49.39 | -3.924 | 353.373 | 2.8359 | 6 | 0 | 0 | 0.761898863 | 4.2836 |
| 606162 | 61.8 | -4.262 | 416.519 | 4.7293 | 5 | 2 | 0 | 0.566830757 | 5.0273 |
| 618546 | 41.99 | -4.099 | 272.306 | 2.6357 | 3 | 1 | 0 | 0.768855943 | 2.702 |
| 619458 | 72.47 | -4.148 | 405.473 | 4.0167 | 5 | 1 | 0 | 0.19360179 | -10.55 |
| 627870 | 25.78 | -5.56 | 306.367 | 4.707 | 2 | 0 | 0 | 0.349782857 | -0.55043 |
| 638274 | 67.51 | -5.384 | 430.674 | 3.5925 | 4 | 3 | 0 | 0.506992621 | 2.0569 |
| 642086 | 116.91 | -7.043 | 370.384 | 1.1856 | 7 | 0 | 0 | 0.251660925 | -11.047 |
| 647747 | 104.81 | -3.727 | 435.475 | 2.4762 | 8 | 2 | 0 | 0.367390873 | -4.0389 |
| 648096 | 116.67 | -2.906 | 449.551 | 2.0776 | 8 | 2 | 0 | 0.757941702 | 6.6802 |
| 648364 | 105.4 | -5.337 | 458.562 | 3.2958 | 8 | 1 | 0 | 0.521992799 | 3.4511 |
| 650148 | 75.02 | -7.0 | 418.52 | 4.5971 | 6 | 1 | 0 | 0.294061336 | 2.229 |
| 650522 | 105.4 | -5.307 | 462.525 | 3.0527 | 8 | 1 | 0 | 0.530052165 | 3.556 |
| 650943 | 105.89 | -3.517 | 403.397 | 1.0395 | 9 | 1 | 0 | 0.788984472 | 4.9819 |
| 652681 | 105.4 | -5.877 | 486.615 | 3.9798 | 8 | 1 | 0 | 0.280574681 | -0.85421 |
| 653473 | 96.61 | -5.232 | 472.589 | 3.5051 | 8 | 0 | 0 | 0.310310523 | 5.7534 |
| 654345 | 96.61 | -5.61 | 486.615 | 3.8298 | 8 | 0 | 0 | 0.274980761 | 5.9032 |
| 654676 | 61.44 | -3.557 | 351.449 | 2.7095 | 5 | 2 | 0 | 0.800398539 | 6.9722 |
| 655283 | 88.07 | -3.773 | 413.497 | 2.1245 | 7 | 1 | 0 | 0.693568286 | 1.7282 |
| 657072 | 119.3 | -3.409 | 441.507 | 0.479 | 8 | 3 | 0 | 0.607525487 | 7.6005 |
| 659597 | 42.58 | -3.505 | 406.503 | 2.8402 | 5 | 1 | 0 | 0.754889098 | 6.2256 |
| 662312 | 39.34 | -4.241 | 359.472 | 3.3368 | 4 | 1 | 0 | 0.705800458 | 3.8594 |
