Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 100288-41-3 | None | -7.8 | 562.879 | 13.317 | 1 | 0 | 2 | 0.0486458 | 0.19633 |
| 100295-79-2 | None | -4.258 | 380.91 | 5.3222 | 4 | 1 | 1 | 0.2690025 | -27.937 |
| 100295-80-5 | None | -4.258 | 380.91 | 5.3222 | 4 | 1 | 1 | 0.2690025 | -27.937 |
| 100295-81-6 | None | -4.258 | 380.91 | 5.3222 | 4 | 1 | 1 | 0.2690025 | -27.937 |
| 1002-96-6 | None | -5.631 | 338.573 | 8.5367 | 2 | 1 | 1 | 0.1622672 | -28.971 |
| 10030-73-6 | None | -4.011 | 254.412 | 5.8103 | 2 | 1 | 1 | 0.2755877 | -26.101 |
| 1003-91-4 | None | -1.891 | 318.794 | 2.5651 | 2 | 0 | 0 | 0.4994328 | -1.9858 |
| 100431-82-1 | None | -1.877 | 130.23 | 2.3047 | 1 | 1 | 0 | 0.4764625 | -4.485 |
| 100431-87-6 | None | -1.877 | 130.23 | 2.3047 | 1 | 1 | 0 | 0.4764625 | -4.485 |
| 100459-63-0 | None | -6.587 | 566.867 | 12.313 | 2 | 1 | 2 | 0.0719659 | -1.0883 |
| 100485-10-7 | None | -6.239 | 580.85 | 11.604 | 3 | 1 | 2 | 0.1012001 | 0.97578 |
| 10052-67-2 | None | -3.546 | 983.135 | -6.6836 | 25 | 13 | 3 | 0.4520452 | 4.7353 |
| 100-53-8 | None | -2.99 | 124.207 | 1.8972 | 0 | 0 | 0 | 0.1651201 | -6.3177 |
| 100605-81-0 | None | -4.726 | 328.535 | 6.6682 | 3 | 2 | 1 | 0.0494331 | -6.5403 |
| 100605-94-5 | None | -4.726 | 328.535 | 6.6682 | 3 | 2 | 1 | 0.0494331 | -6.5403 |
| 100665-30-3 | None | -1.945 | 262.304 | 0.824 | 4 | 2 | 0 | 0.5372524 | -1.8263 |
| 100665-52-9 | None | -4.976 | 632.744 | 6.1209 | 11 | 3 | 3 | 0.2102007 | 0.13388 |
| 100665-53-0 | None | -4.243 | 746.928 | 0.7513 | 14 | 9 | 3 | 0.2188705 | -9.572 |
| 100665-54-1 | None | -5.092 | 714.93 | 2.4268 | 12 | 7 | 3 | 0.1906467 | -9.8809 |
| 100667-74-1 | None | -5.162 | 416.643 | 5.2548 | 3 | 3 | 1 | 0.214542 | 0.30667 |
| 100667-75-2 | None | -5.592 | 444.697 | 5.9275 | 3 | 3 | 1 | 0.3413065 | 2.0901 |
| 100667-78-5 | None | -5.597 | 614.864 | 9.3329 | 5 | 3 | 2 | 0.1823202 | 1.2037 |
| 100675-91-0 | None | -3.479 | 228.374 | 4.6815 | 2 | 1 | 0 | 0.3527029 | -19.526 |
| 100675-92-1 | None | -3.607 | 242.401 | 5.1094 | 2 | 0 | 1 | 0.3243429 | -23.04 |
| 100675-95-4 | None | -3.67 | 214.176 | 1.57 | 4 | 1 | 0 | 0.2656327 | -3.8604 |
