Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 102629-91-4 | None | -5.724 | 352.513 | 4.8679 | 4 | 3 | 0 | 0.1414135 | -26.233 |
| 102673-53-0 | None | -4.535 | 330.184 | 2.7892 | 4 | 2 | 0 | 0.3429384 | -1.4775 |
| 102679-34-5 | None | -6.659 | 566.867 | 11.971 | 2 | 1 | 2 | 0.1234561 | -0.85081 |
| 102679-93-6 | None | -3.782 | 1243.37 | -2.8644 | 28 | 14 | 3 | 0.2189335 | 0.60903 |
| 102694-33-7 | None | -3.984 | 352.341 | 0.704 | 6 | 4 | 0 | 0.6935255 | 1.0286 |
| 102712-89-0 | None | -3.344 | 496.638 | 1.036 | 8 | 7 | 1 | 0.2314847 | 1.8928 |
| 102721-98-2 | None | -9.134 | 1143.32 | 0.9846 | 21 | 5 | 2 | 0.0604423 | -8.7671 |
| 102739-99-1 | None | -7.267 | 515.821 | 5.886 | 2 | 0 | 2 | 0.0471743 | -3.8293 |
| 102778-12-1 | None | -6.011 | 384.645 | 6.9303 | 1 | 1 | 1 | 0.2280123 | 1.2386 |
| 102791-30-0 | None | -6.253 | 408.664 | 9.0652 | 3 | 1 | 1 | 0.1358936 | -25.422 |
| 102791-31-1 | None | -6.793 | 436.718 | 9.974 | 3 | 1 | 1 | 0.1208958 | -25.422 |
| 1028-33-7 | None | -2.524 | 264.328 | 2.0455 | 6 | 0 | 0 | 0.4574671 | -5.5075 |
| 102851-26-3 | None | -4.131 | 684.817 | 2.1321 | 13 | 2 | 2 | 0.3719518 | 0.54756 |
| 102854-37-5 | None | -2.447 | 650.581 | -0.6378 | 18 | 0 | 2 | 0.2999211 | -2.2804 |
| 10285-64-0 | None | -2.311 | 382.411 | 0.5337 | 9 | 4 | 0 | 0.4341566 | -60.748 |
| 102856-53-1 | None | -4.708 | 328.45 | 5.7395 | 3 | 0 | 1 | 0.2458513 | -6.1989 |
| 102856-54-2 | None | -4.708 | 328.45 | 5.7395 | 3 | 0 | 1 | 0.2458513 | -6.1989 |
| 102915-72-0 | None | -4.359 | 284.441 | 4.3056 | 1 | 0 | 0 | 0.1197992 | -21.961 |
| 102917-92-0 | None | -5.351 | 392.578 | 5.7481 | 4 | 1 | 1 | 0.1249501 | -7.9843 |
| 10296-76-1 | None | 0.428 | 156.158 | -2.8172 | 5 | 3 | 0 | 0.4952896 | -7.0107 |
| 102974-62-9 | None | -2.77 | 714.956 | 2.3311 | 12 | 3 | 2 | 0.1484334 | -5.4862 |
| 102976-85-2 | None | -4.142 | 464.64 | 2.9099 | 6 | 5 | 0 | 0.542926 | 0.76694 |
| 102977-76-4 | None | -3.559 | 320.471 | 3.8308 | 3 | 2 | 0 | 0.3805465 | -4.9397 |
| 102988-63-6 | None | -2.998 | 502.642 | 0.1683 | 9 | 9 | 2 | 0.2237588 | -2.63 |
| 102988-64-7 | None | -1.852 | 582.705 | -1.4465 | 12 | 9 | 3 | 0.2046227 | -2.2286 |
