"Dengue" Chemical Library
Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
---|---|---|---|---|---|---|---|---|---|
442115 | 64.36 | -4.671 | 492.621 | 4.3003 | 6 | 2 | 0 | 0.487505066 | 2.7957 |
457626 | 129.64 | -5.618 | 448.454 | 2.3862 | 8 | 3 | 0 | 0.385048468 | 1.3219 |
458893 | 92.34 | -4.877 | 394.45 | 2.6704 | 6 | 2 | 0 | 0.117182899 | -13.32 |
460397 | 117.61 | -7.192 | 499.542 | 4.004 | 7 | 2 | 0 | 0.179188093 | -5.8484 |
460402 | 129.64 | -4.146 | 424.432 | 2.9181 | 8 | 3 | 0 | 0.660680991 | 2.4513 |
471818 | None | -3.62 | 495.578 | 3.1264 | 9 | 3 | 0 | 0.524448689 | 0.62373 |
477478 | 67.76 | -5.212 | 376.435 | 3.8398 | 5 | 1 | 0 | 0.560633989 | 2.7315 |
477479 | 100.02 | -4.928 | 407.449 | 4.4498 | 7 | 3 | 0 | 0.526216032 | 2.6988 |
484785 | 113.67 | -6.214 | 405.813 | 1.0668 | 7 | 2 | 0 | 0.267160443 | -11.036 |
489189 | 130.83 | -5.955 | 449.49 | 1.2867 | 9 | 2 | 0 | 0.260059062 | -7.8678 |
496094 | 61.96 | -6.624 | 332.402 | 3.8976 | 4 | 2 | 0 | 0.125604481 | -0.18134 |
498393 | None | -3.503 | 436.467 | 3.1822 | 8 | 3 | 0 | 0.38933019 | 0.90497 |
503520 | 83.47 | -5.767 | 387.479 | 3.8965 | 5 | 2 | 0 | 0.37286282 | 1.4006 |
503521 | 83.47 | -5.423 | 373.452 | 3.5526 | 5 | 2 | 0 | 0.567943349 | 3.7217 |
503522 | 83.47 | -5.423 | 373.452 | 3.5526 | 5 | 2 | 0 | 0.430596652 | -0.0062893 |
503523 | 83.47 | -5.423 | 373.452 | 3.5526 | 5 | 2 | 0 | 0.289733738 | -4.7904 |
506210 | 73.48 | -3.295 | 375.427 | 2.4369 | 6 | 1 | 0 | 0.801696433 | 4.0613 |
506523 | 100.54 | -6.107 | 415.489 | 3.4238 | 6 | 2 | 0 | 0.434921235 | 1.1419 |
506524 | 100.54 | -6.451 | 429.516 | 3.7677 | 6 | 2 | 0 | 0.161956676 | -1.915 |
507812 | 86.37 | -4.248 | 456.476 | 2.9431 | 7 | 1 | 0 | 0.626222696 | 2.7983 |
507896 | 139.46 | -3.629 | 489.462 | 1.3227 | 10 | 3 | 0 | 0.67568173 | 4.4066 |
541460 | 155.46 | -4.237 | 367.32 | 1.6904 | 10 | 1 | 0 | 0.183087302 | -4.7439 |
569799 | 79.65 | -5.411 | 454.481 | 3.82 | 7 | 0 | 0 | 0.493755602 | 3.1632 |
571431 | 48.0 | -4.473 | 393.481 | 3.3939 | 5 | 0 | 0 | 0.657287935 | 3.735 |
574496 | 66.84 | -5.021 | 471.679 | 4.2155 | 5 | 1 | 0 | 0.497393514 | 4.9045 |