"Dengue" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 373640 | 62.4 | -5.735 | 400.477 | 4.4842 | 5 | 1 | 0 | 0.128343674 | -1.9541 |
| 373641 | 62.4 | -5.895 | 414.503 | 4.7535 | 5 | 1 | 0 | 0.161735253 | 0.1671 |
| 373645 | 62.4 | -6.074 | 436.51 | 4.4328 | 5 | 1 | 0 | 0.424899071 | 3.3737 |
| 374210 | 85.24 | -2.806 | 350.377 | 1.1461 | 7 | 2 | 0 | 0.523571925 | 6.8813 |
| 375343 | 96.58 | -4.802 | 378.411 | 2.8165 | 7 | 2 | 0 | 0.662164827 | 4.427 |
| 376984 | 36.1 | -4.94 | 274.322 | 3.5159 | 3 | 1 | 0 | 0.393967338 | 3.5381 |
| 378589 | 62.4 | -6.209 | 448.521 | 4.448 | 5 | 1 | 0 | 0.236942151 | 2.2559 |
| 384148 | 41.99 | -6.854 | 362.431 | 4.9276 | 3 | 1 | 0 | 0.340645211 | 0.94177 |
| 385013 | 34.82 | -4.186 | 313.403 | 3.9393 | 3 | 2 | 0 | 0.690729224 | 3.3951 |
| 387059 | 134.42 | -6.737 | 474.496 | 3.5963 | 9 | 3 | 0 | 0.111046665 | 2.0781 |
| 389593 | None | -5.891 | 481.551 | 4.8145 | 6 | 1 | 0 | 0.194043436 | -8.5617 |
| 389597 | None | -4.269 | 434.451 | 2.0859 | 8 | 2 | 0 | 0.345401466 | -5.615 |
| 389803 | 71.0 | -5.122 | 411.46 | 3.8894 | 6 | 1 | 0 | 0.196850484 | 2.9263 |
| 391542 | 95.5 | -4.886 | 386.406 | 3.9089 | 6 | 3 | 0 | 0.583958484 | 2.8671 |
| 391546 | 115.73 | -4.59 | 402.405 | 3.5632 | 7 | 4 | 0 | 0.620881888 | 2.8671 |
| 392291 | 96.68 | -6.25 | 424.476 | 1.1983 | 7 | 1 | 0 | 0.258940598 | -7.8149 |
| 398794 | 63.93 | -4.56 | 431.658 | 3.5872 | 4 | 3 | 0 | 0.609850362 | 4.1725 |
| 401427 | 58.29 | -4.373 | 466.627 | 5.098 | 5 | 3 | 1 | 0.289086297 | 3.8095 |
| 404808 | 74.24 | -2.375 | 378.431 | 1.9296 | 7 | 1 | 0 | 0.855566195 | 8.1796 |
| 404809 | 67.76 | -4.818 | 356.38 | 3.9996 | 5 | 1 | 0 | 0.524354951 | 0.8305 |
| 404811 | 67.76 | -5.838 | 400.477 | 4.4548 | 5 | 1 | 0 | 0.416354482 | 1.2236 |
| 421494 | 33.73 | -3.73 | 418.579 | 5.1159 | 4 | 1 | 1 | 0.559731758 | 3.8992 |
| 422237 | 84.5 | -4.851 | 394.45 | 2.5763 | 6 | 2 | 0 | 0.336595352 | -3.6319 |
| 423221 | 67.51 | -5.384 | 430.674 | 3.5925 | 4 | 3 | 0 | 0.506992621 | 2.0569 |
| 427005 | 90.79 | -4.937 | 359.384 | 4.0034 | 6 | 3 | 0 | 0.481759641 | 4.8605 |
