Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 100007-33-8 | None | -4.369 | 626.825 | 2.5943 | 10 | 7 | 2 | 0.2335985 | -8.1161 |
| 100007-38-3 | None | -4.306 | 614.814 | 2.1734 | 10 | 7 | 2 | 0.2433248 | -10.303 |
| 100007-39-4 | None | -3.907 | 630.813 | 1.3213 | 11 | 8 | 3 | 0.2531256 | -10.561 |
| 100015-16-5 | None | -3.352 | 332.395 | 2.5213 | 5 | 0 | 0 | 0.4157983 | -19.298 |
| 100019-23-6 | None | -4.553 | 1229.39 | -2.0736 | 27 | 13 | 3 | 0.3326624 | 0.63444 |
| 100019-24-7 | None | -3.551 | 500.67 | 1.2764 | 8 | 8 | 2 | 0.3349176 | -9.6473 |
| 100019-25-8 | None | -4.813 | 598.815 | 2.8385 | 9 | 6 | 2 | 0.2297991 | -4.1393 |
| 100-02-7 | None | -1.78 | 139.11 | 0.3923 | 4 | 1 | 0 | 0.4850553 | -7.5665 |
| 100041-05-2 | None | -3.92 | 308.292 | 1.9867 | 6 | 3 | 0 | 0.5547458 | 0.86566 |
| 100045-73-6 | None | -8.763 | 881.029 | 5.8473 | 17 | 1 | 3 | 0.0533055 | -2.7809 |
| 100045-74-7 | None | -8.742 | 999.161 | 5.7248 | 20 | 1 | 3 | 0.0536216 | -2.9223 |
| 100045-78-1 | None | -8.635 | 942.113 | 5.0508 | 19 | 2 | 3 | 0.1111385 | 2.6365 |
| 100046-02-4 | None | -3.326 | 268.395 | 3.3022 | 3 | 1 | 0 | 0.6671162 | 0.47832 |
| 100046-03-5 | None | -5.39 | 428.567 | 5.768 | 5 | 0 | 1 | 0.1573536 | -8.462 |
| 100046-04-6 | None | -5.01 | 414.54 | 5.0775 | 5 | 0 | 1 | 0.3377197 | 1.124 |
| 100082-10-8 | None | -5.39 | 428.567 | 5.768 | 5 | 0 | 1 | 0.1573536 | -8.462 |
| 100101-16-4 | None | -3.95 | 484.671 | 2.1285 | 7 | 7 | 1 | 0.3274774 | -7.9523 |
| 100101-28-8 | None | -7.197 | 883.185 | 3.5895 | 14 | 6 | 3 | 0.0985074 | 0.56875 |
| 100101-34-6 | None | -2.405 | 580.733 | -0.3384 | 11 | 8 | 3 | 0.3070068 | -9.1209 |
| 10015-87-9 | None | -6.953 | 674.937 | 9.6616 | 8 | 2 | 2 | 0.0786646 | -48.027 |
| 100201-69-2 | None | -4.258 | 380.91 | 5.3222 | 4 | 1 | 1 | 0.2690025 | -27.937 |
| 100-21-0 | None | -1.642 | 166.132 | 0.6298 | 4 | 2 | 0 | 0.198097 | -1.8442 |
| 100244-36-8 | None | -5.095 | 506.721 | 3.5028 | 6 | 4 | 1 | 0.2481291 | -9.8427 |
| 1002-84-2 | None | -3.969 | 242.401 | 5.6081 | 2 | 1 | 1 | 0.2872951 | -25.216 |
| 10028-70-3 | None | -1.642 | 166.132 | 0.6298 | 4 | 2 | 0 | 0.198097 | -1.8442 |
