"Dengue" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 308435 | 84.83 | -5.41 | 412.852 | 3.2561 | 6 | 1 | 0 | 0.28499309 | -4.4119 |
| 315008 | 79.61 | -7.362 | 486.59 | 2.8464 | 6 | 1 | 0 | 0.266775417 | -0.63744 |
| 315015 | 69.03 | -6.969 | 362.408 | 2.1333 | 5 | 0 | 0 | 0.269402837 | -2.5428 |
| 317593 | 72.2 | -4.27 | 450.54 | 3.451 | 6 | 2 | 0 | 0.626014093 | 5.0071 |
| 320333 | 48.99 | -3.408 | 287.321 | 2.749 | 4 | 1 | 0 | 0.833530768 | 4.1068 |
| 324225 | 64.36 | -4.671 | 492.621 | 4.3003 | 6 | 2 | 0 | 0.487505066 | 2.7957 |
| 333643 | 87.04 | -4.619 | 364.38 | 2.5216 | 6 | 1 | 0 | 0.700548865 | 4.8365 |
| 333817 | 150.09 | -4.406 | 451.438 | 1.8952 | 11 | 2 | 1 | 0.123107214 | -3.2972 |
| 333818 | 178.16 | -4.101 | 451.394 | 1.044 | 12 | 3 | 1 | 0.140874897 | -1.9446 |
| 333833 | 140.86 | -4.088 | 407.385 | 1.5589 | 10 | 2 | 0 | 0.12771384 | -1.9446 |
| 335329 | 107.94 | -3.572 | 372.404 | 0.9322 | 8 | 2 | 0 | 0.458843478 | 1.9389 |
| 335706 | 49.93 | -7.1 | 311.339 | 4.7336 | 3 | 1 | 0 | 0.177837642 | -0.27178 |
| 335984 | 137.7 | -4.572 | 461.885 | 2.4652 | 10 | 1 | 0 | 0.191849167 | 0.89441 |
| 336198 | 132.66 | -6.617 | 446.49 | 3.5892 | 9 | 1 | 0 | 0.087284139 | -2.0444 |
| 336200 | 171.04 | -6.992 | 488.531 | 3.0488 | 11 | 2 | 1 | 0.081075221 | -2.0123 |
| 336201 | 135.74 | -6.553 | 488.527 | 4.0073 | 10 | 1 | 0 | 0.098687693 | -0.37642 |
| 336212 | 35.16 | -2.008 | 332.45 | 2.6457 | 4 | 1 | 0 | 0.873822294 | 4.5014 |
| 337633 | 111.76 | -4.014 | 350.333 | 2.1622 | 8 | 1 | 0 | 0.295355342 | 0.30984 |
| 337634 | 137.7 | -3.836 | 427.44 | 1.8592 | 10 | 1 | 0 | 0.189496517 | -0.27606 |
| 337635 | 134.62 | -3.9 | 385.403 | 1.4411 | 9 | 1 | 0 | 0.157331585 | -1.9327 |
| 338537 | 65.2 | -4.275 | 461.563 | 4.0744 | 5 | 2 | 0 | 0.578677225 | 6.2138 |
| 341535 | 68.09 | -9.571 | 374.423 | 2.628 | 6 | 0 | 0 | 0.437786997 | 4.73 |
| 342105 | 92.26 | -4.569 | 486.53 | 2.157 | 7 | 1 | 0 | 0.215007491 | 4.2528 |
| 342988 | 88.73 | -6.225 | 461.567 | 3.6153 | 6 | 3 | 0 | 0.225609717 | 0.79375 |
| 349498 | 46.61 | -4.098 | 329.354 | 4.0566 | 4 | 0 | 0 | 0.140998369 | -1.9088 |
