Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 102988-65-8 | None | -3.397 | 486.643 | 1.0204 | 8 | 8 | 1 | 0.2227827 | -2.7102 |
| 102988-66-9 | None | -3.448 | 484.627 | 0.9892 | 8 | 7 | 1 | 0.3136066 | -0.019351 |
| 102988-67-0 | None | -1.64 | 594.716 | -0.9972 | 12 | 9 | 3 | 0.3255451 | -2.6359 |
| 102988-68-1 | None | -4.034 | 466.656 | 3.1452 | 6 | 6 | 1 | 0.3748804 | -1.6081 |
| 102988-69-2 | None | -3.635 | 482.655 | 2.2931 | 7 | 7 | 1 | 0.3497175 | -3.2905 |
| 103000-69-7 | None | -4.972 | 330.466 | 5.6036 | 3 | 0 | 1 | 0.2418996 | -4.9604 |
| 103005-20-5 | None | -6.42 | 410.683 | 8.5229 | 1 | 0 | 1 | 0.0844334 | 0.57797 |
| 103064-45-5 | None | -3.559 | 320.471 | 3.8308 | 3 | 2 | 0 | 0.3805465 | -4.9397 |
| 103065-20-9 | None | -2.604 | 688.918 | 1.5225 | 12 | 3 | 2 | 0.1555508 | -5.4372 |
| 10309-35-0 | None | -1.92 | 196.245 | 0.9068 | 3 | 1 | 0 | 0.4857923 | -4.2161 |
| 103170-36-1 | None | -4.656 | 1853.13 | -15.348 | 47 | 23 | 3 | 0.2406478 | -1.298 |
| 103188-12-1 | None | -3.27 | 334.454 | 4.0099 | 4 | 2 | 0 | 0.0811344 | -12.611 |
| 103190-14-3 | None | -6.259 | 442.681 | 6.8403 | 3 | 1 | 1 | 0.1294437 | -0.029165 |
| 103197-39-3 | None | -3.818 | 306.488 | 5.5468 | 2 | 2 | 1 | 0.1738094 | -5.1955 |
| 103197-40-6 | None | -4.004 | 288.473 | 6.5422 | 1 | 1 | 1 | 0.2488298 | -4.1655 |
| 103197-41-7 | None | -3.62 | 318.455 | 3.2888 | 3 | 1 | 0 | 0.6192356 | 0.28504 |
| 103200-86-8 | None | -4.582 | 290.489 | 4.8733 | 1 | 1 | 0 | 0.2954456 | -9.093 |
| 103202-14-8 | None | -2.863 | 262.348 | 2.5721 | 3 | 0 | 0 | 0.4425429 | -6.7225 |
| 103202-15-9 | None | -2.938 | 280.363 | 2.5487 | 4 | 1 | 0 | 0.1170926 | -1.6544 |
| 103202-16-0 | None | -2.944 | 248.321 | 1.8977 | 3 | 0 | 0 | 0.4147588 | -1.7333 |
| 103202-17-1 | None | -3.03 | 248.321 | 1.9797 | 3 | 0 | 0 | 0.3647785 | -3.9876 |
| 103202-18-2 | None | -2.668 | 248.321 | 2.902 | 3 | 1 | 0 | 0.4412507 | -19.127 |
| 103301-71-9 | None | -3.21 | 352.469 | 3.8059 | 5 | 4 | 0 | 0.3804143 | -12.795 |
| 103301-94-6 | None | -3.03 | 248.321 | 1.9797 | 3 | 0 | 0 | 0.3647785 | -3.9876 |
| 103302-75-6 | None | -2.944 | 248.321 | 1.8977 | 3 | 0 | 0 | 0.4147588 | -1.7333 |
