Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 103772-44-7 | None | -3.751 | 336.47 | 3.0976 | 4 | 2 | 0 | 0.3899018 | -8.8524 |
| 103772-45-8 | None | -4.161 | 378.507 | 3.5822 | 5 | 1 | 0 | 0.3470543 | -8.7432 |
| 10380-93-5 | None | -2.252 | 266.212 | -1.509 | 9 | 3 | 0 | 0.9338949 | 4.1036 |
| 103-82-2 | None | -1.594 | 136.15 | 1.1428 | 2 | 1 | 0 | 0.2006139 | -1.7208 |
| 103833-89-2 | None | -2.763 | 148.248 | 3.6011 | 0 | 0 | 0 | 0.3412597 | -6.15 |
| 103881-48-7 | None | -6.346 | 745.05 | 11.424 | 7 | 4 | 2 | 0.1430188 | 1.4055 |
| 10395-36-5 | None | -4.284 | 304.472 | 5.3216 | 2 | 1 | 1 | 0.1703356 | -8.379 |
| 103954-11-6 | None | -0.475 | 161.156 | -2.8146 | 5 | 3 | 0 | 0.7652236 | 2.7534 |
| 10395-43-4 | None | -4.302 | 290.489 | 5.6712 | 1 | 1 | 1 | 0.2687034 | -7.3668 |
| 103955-75-5 | None | -5.086 | 487.025 | 3.0717 | 3 | 0 | 0 | 0.0960842 | -6.1793 |
| 103963-42-4 | None | -5.346 | 266.511 | 8.4498 | 0 | 0 | 1 | 0.1770209 | -24.054 |
| 103963-44-6 | None | -4.806 | 238.457 | 7.541 | 0 | 0 | 1 | 0.2033646 | -26.324 |
| 103974-26-1 | None | 0.53 | 242.234 | -7.0849 | 8 | 4 | 0 | 0.3910847 | -6.5889 |
| 104008-77-7 | None | -3.522 | 378.507 | 4.4625 | 5 | 4 | 0 | 0.335046 | -9.362 |
| 104013-99-2 | None | -3.963 | 394.55 | 4.7413 | 5 | 2 | 0 | 0.3834261 | 0.3408 |
| 10402-16-1 | None | -4.551 | 282.466 | 6.7191 | 2 | 1 | 1 | 0.0483745 | -28.971 |
| 104048-17-1 | None | -5.42 | 480.751 | 6.0931 | 4 | 1 | 1 | 0.1700952 | -8.7215 |
| 104061-39-4 | None | -4.711 | 296.493 | 6.9374 | 2 | 1 | 1 | 0.2123604 | -23.786 |
| 1041-01-6 | None | -5.574 | 525.071 | 0.3749 | 5 | 3 | 1 | 0.2411968 | -10.339 |
| 104113-53-3 | None | -3.637 | 322.487 | 3.6338 | 3 | 3 | 0 | 0.3862005 | -4.5009 |
| 104-14-3 | None | -0.844 | 153.18 | -0.3212 | 3 | 3 | 0 | 0.6000759 | -1.2552 |
| 10417-94-4 | None | -4.179 | 302.456 | 6.6191 | 2 | 1 | 1 | 0.2362786 | -14.291 |
| 104180-32-7 | None | -3.637 | 580.731 | -0.3512 | 12 | 8 | 3 | 0.5587954 | 3.0873 |
| 104187-49-7 | None | -1.506 | 244.29 | -0.5668 | 6 | 2 | 0 | 0.9448258 | 3.3238 |
| 104188-11-6 | None | -2.181 | 154.252 | 3.1813 | 1 | 1 | 0 | 0.4484975 | -15.966 |
