Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 102141-25-3 | None | -6.639 | 682.935 | 7.2511 | 8 | 2 | 2 | 0.0881086 | -5.0606 |
| 102208-08-2 | None | -4.349 | 468.672 | 2.9806 | 6 | 6 | 1 | 0.310746 | -7.9961 |
| 102209-77-8 | None | -5.174 | 437.626 | 4.8933 | 5 | 4 | 0 | 0.1869921 | -6.3467 |
| 10222-62-5 | None | -2.878 | 203.196 | 1.7421 | 4 | 1 | 0 | 0.5520315 | -1.3547 |
| 1022-31-7 | None | -2.503 | 236.226 | -2.6502 | 6 | 3 | 0 | 0.471136 | -11.79 |
| 10228-40-7 | None | -3.89 | 286.238 | 1.9945 | 6 | 4 | 0 | 0.3079898 | -1.1275 |
| 10236-12-1 | None | -4.607 | 298.509 | 6.6428 | 2 | 0 | 1 | 0.2224916 | -21.827 |
| 10237-77-1 | None | -0.87 | 118.131 | 0.0423 | 3 | 2 | 0 | 0.6278324 | -0.9615 |
| 102394-16-1 | None | -3.705 | 319.245 | 3.9456 | 2 | 1 | 0 | 0.4111382 | 1.8042 |
| 102396-15-6 | None | -4.976 | 442.594 | 5.2817 | 5 | 2 | 1 | 0.2251943 | -5.423 |
| 102396-16-7 | None | -4.495 | 442.594 | 5.768 | 5 | 3 | 1 | 0.2236152 | -5.386 |
| 102396-17-8 | None | -5.147 | 424.579 | 5.8584 | 4 | 1 | 1 | 0.2037358 | -5.9013 |
| 102396-21-4 | None | -5.162 | 358.432 | 3.3538 | 5 | 0 | 0 | 0.1863287 | -5.6645 |
| 102396-22-5 | None | -5.162 | 358.432 | 3.3538 | 5 | 0 | 0 | 0.1863287 | -5.6645 |
| 102396-24-7 | None | -5.177 | 709.679 | 5.2203 | 10 | 4 | 2 | 0.2495274 | 1.1839 |
| 10245-81-5 | None | -6.055 | 553.668 | 5.51 | 2 | 2 | 2 | 0.0446891 | -7.4368 |
| 102488-58-4 | None | -6.038 | 371.399 | 3.0017 | 7 | 3 | 0 | 0.5071429 | 1.9475 |
| 102490-77-7 | None | -4.495 | 442.594 | 5.768 | 5 | 3 | 1 | 0.2236152 | -5.386 |
| 102491-66-7 | None | -4.976 | 442.594 | 5.2817 | 5 | 2 | 1 | 0.2251943 | -5.423 |
| 102503-99-1 | None | -3.214 | 181.278 | 3.2594 | 2 | 0 | 0 | 0.2549348 | -28.972 |
| 102506-55-8 | None | -2.461 | 580.493 | -1.3866 | 15 | 9 | 3 | 0.3071259 | -7.7821 |
| 10252-12-7 | None | -2.755 | 226.322 | 2.853 | 2 | 1 | 0 | 0.7788909 | 1.1428 |
| 102580-64-3 | None | -5.994 | 881.018 | 4.6021 | 17 | 4 | 2 | 0.1285499 | -5.8072 |
| 102604-78-4 | None | -5.454 | 852.964 | 3.6933 | 17 | 4 | 2 | 0.1580948 | -5.2535 |
| 102607-76-1 | None | -6.205 | 396.656 | 7.806 | 1 | 1 | 1 | 0.1443477 | -14.152 |
