Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 103386-25-0 | None | -4.399 | 270.455 | 6.2808 | 2 | 1 | 1 | 0.1457839 | -13.238 |
| 10339-73-8 | None | -3.909 | 256.428 | 5.3542 | 2 | 1 | 1 | 0.3095848 | -3.5068 |
| 103411-73-0 | None | -4.524 | 392.322 | 1.9998 | 6 | 0 | 0 | 0.0608456 | -9.9827 |
| 103411-74-1 | None | -4.524 | 408.321 | 2.3315 | 7 | 0 | 0 | 0.0591457 | -9.9827 |
| 103424-62-0 | None | -6.404 | 350.628 | 9.5828 | 1 | 0 | 1 | 0.0303203 | -23.152 |
| 103425-21-4 | None | -6.366 | 1218.48 | -7.2486 | 26 | 15 | 3 | 0.2934961 | 2.9653 |
| 103439-82-3 | None | -4.059 | 200.324 | 3.8052 | 0 | 0 | 0 | 0.3677347 | -1.2287 |
| 103439-83-4 | None | -4.597 | 295.219 | 4.1847 | 1 | 1 | 0 | 0.3405814 | -3.0005 |
| 103439-84-5 | None | -4.393 | 295.219 | 4.2752 | 1 | 1 | 0 | 0.3360016 | -4.182 |
| 103456-68-4 | None | -4.871 | 337.256 | 4.0136 | 2 | 1 | 0 | 0.3287318 | -2.7724 |
| 103456-69-5 | None | -4.989 | 337.256 | 4.6076 | 2 | 0 | 0 | 0.2859889 | -4.0835 |
| 103476-61-5 | None | -2.584 | 328.192 | -0.1477 | 7 | 4 | 0 | 0.0876362 | -1.9536 |
| 103538-55-2 | None | -5.402 | 396.525 | 6.0609 | 4 | 1 | 1 | 0.1992655 | -3.9192 |
| 103545-34-2 | None | -2.484 | 303.233 | -0.6994 | 10 | 3 | 0 | 0.6569795 | -0.28667 |
| 103-54-8 | None | -2.427 | 176.214 | 2.3081 | 2 | 0 | 0 | 0.2007073 | -1.349 |
| 103548-50-1 | None | -0.975 | 240.306 | -4.1 | 6 | 4 | 0 | 0.485069 | -15.043 |
| 103590-21-2 | None | -5.444 | 398.541 | 5.9868 | 4 | 0 | 1 | 0.213768 | -2.2932 |
| 103590-22-3 | None | -2.864 | 240.265 | 0.6481 | 5 | 1 | 0 | 0.9143583 | 4.1957 |
| 1035968-23-0 | None | -3.951 | 358.476 | 5.913 | 4 | 0 | 1 | 0.1549801 | -8.2899 |
| 103612-45-9 | None | -1.863 | 383.487 | -0.0297 | 8 | 3 | 0 | 0.6967558 | 3.9395 |
| 103614-76-2 | None | -9.85 | 1111.32 | 2.2476 | 19 | 3 | 2 | 0.0733733 | -9.0453 |
| 103654-49-5 | None | -3.744 | 400.382 | 3.0443 | 8 | 3 | 0 | 0.2034499 | 0.13304 |
| 103665-41-4 | None | -5.145 | 342.477 | 5.804 | 3 | 0 | 1 | 0.1848061 | -3.4076 |
| 103763-59-3 | None | -1.96 | 208.212 | 0.6175 | 4 | 2 | 0 | 0.823528 | 0.95034 |
| 103772-42-5 | None | -3.751 | 336.47 | 3.0976 | 4 | 2 | 0 | 0.3898523 | -11.04 |
