"Dengue" Chemical Library
Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
---|---|---|---|---|---|---|---|---|---|
986198 | 59.3 | -6.884 | 377.463 | 2.9919 | 4 | 1 | 0 | 0.244711664 | -4.2628 |
986598 | 81.06 | -3.892 | 411.525 | 3.0761 | 6 | 1 | 0 | 0.433114619 | -1.3128 |
986601 | 81.06 | -3.892 | 411.525 | 3.0761 | 6 | 1 | 0 | 0.433114619 | -1.3128 |
989132 | 90.03 | -4.651 | 490.582 | 2.0845 | 8 | 1 | 0 | 0.179483358 | 0.79354 |
989150 | 104.37 | -4.731 | 437.519 | 2.9494 | 7 | 3 | 0 | 0.619944816 | 6.9342 |
989172 | 107.1 | -2.131 | 426.452 | 0.3052 | 9 | 1 | 0 | 0.297618993 | 7.3305 |
990035 | 50.49 | -4.704 | 378.434 | 4.1329 | 5 | 0 | 0 | 0.606141515 | 5.7341 |
990121 | 92.78 | -4.229 | 472.948 | 3.6077 | 7 | 1 | 0 | 0.308159454 | -3.5177 |
991167 | 93.42 | -3.325 | 436.535 | 2.8068 | 7 | 1 | 0 | 0.405383516 | -2.1741 |
992196 | 122.39 | -6.836 | 421.432 | 2.9119 | 8 | 2 | 0 | 0.282317383 | -1.2544 |
992219 | 103.78 | -3.202 | 402.47 | 2.3508 | 7 | 2 | 0 | 0.549519475 | -0.45656 |
992220 | 103.78 | -3.202 | 402.47 | 2.3508 | 7 | 2 | 0 | 0.404442698 | -3.8221 |
992221 | 103.78 | -3.202 | 402.47 | 2.3508 | 7 | 2 | 0 | 0.469058006 | -1.4855 |
992228 | 103.78 | -4.928 | 424.476 | 2.8404 | 7 | 2 | 0 | 0.528189592 | 0.91678 |
992232 | 103.78 | -3.506 | 402.47 | 2.841 | 7 | 2 | 0 | 0.381516564 | -1.0666 |
992247 | 95.5 | -4.479 | 386.402 | 2.8613 | 6 | 3 | 0 | 0.36551892 | -2.8255 |
992255 | 103.78 | -5.32 | 444.894 | 3.1025 | 7 | 2 | 0 | 0.461266868 | 0.72777 |
992473 | 111.13 | -5.523 | 476.508 | 3.6476 | 8 | 1 | 0 | 0.229202336 | 0.32691 |
993813 | 104.37 | -3.933 | 409.465 | 2.056 | 7 | 3 | 0 | 0.716190512 | 2.5557 |
997658 | 136.04 | -5.265 | 411.437 | 2.5285 | 8 | 2 | 0 | 0.33300126 | -2.1033 |
998188 | 96.86 | -4.154 | 397.454 | 2.0959 | 7 | 2 | 0 | 0.550044327 | -0.0067041 |
998261 | 112.57 | -4.596 | 416.497 | 2.3434 | 7 | 3 | 0 | 0.120554599 | -10.299 |
998264 | 112.57 | -4.596 | 416.497 | 2.3434 | 7 | 3 | 0 | 0.120554599 | -10.299 |
999396 | 92.78 | -3.742 | 416.497 | 3.2516 | 7 | 1 | 0 | 0.303281121 | -0.71039 |
999398 | 92.78 | -3.742 | 416.497 | 3.2516 | 7 | 1 | 0 | 0.303281121 | -0.71039 |