Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 101627-32-1 | None | -6.298 | 600.881 | 9.8516 | 4 | 2 | 2 | 0.1662187 | 1.1925 |
| 101627-33-2 | None | -6.298 | 600.881 | 9.8516 | 4 | 2 | 2 | 0.1662187 | 1.1925 |
| 101627-34-3 | None | -6.298 | 600.881 | 9.8516 | 4 | 2 | 2 | 0.1662187 | 1.1925 |
| 101627-35-4 | None | -6.298 | 600.881 | 9.8516 | 4 | 2 | 2 | 0.1662187 | 1.1925 |
| 10163-49-2 | None | -3.237 | 362.464 | 1.3881 | 5 | 3 | 0 | 0.4888827 | 2.7131 |
| 101691-11-6 | None | -5.454 | 680.872 | 3.6837 | 11 | 5 | 2 | 0.093916 | 0.09884 |
| 101691-12-7 | None | -5.044 | 638.836 | 3.1991 | 10 | 6 | 2 | 0.1217748 | -4.3575 |
| 101691-13-8 | None | -5.718 | 682.888 | 3.7882 | 11 | 5 | 2 | 0.1395417 | -0.24711 |
| 101691-14-9 | None | -5.308 | 640.851 | 3.3036 | 10 | 6 | 2 | 0.1153914 | -4.2819 |
| 101766-90-9 | None | -4.979 | 310.52 | 7.5533 | 2 | 0 | 1 | 0.1923288 | -34.889 |
| 101767-68-4 | None | -4.371 | 760.955 | 1.2711 | 14 | 8 | 3 | 0.2186526 | -3.5385 |
| 101899-43-8 | None | -1.266 | 297.306 | -1.7981 | 7 | 4 | 0 | 0.7038696 | 1.7856 |
| 101899-44-9 | None | -1.39 | 311.333 | -1.1917 | 7 | 4 | 0 | 0.7412224 | 3.568 |
| 101899-45-0 | None | -1.557 | 311.333 | -1.125 | 7 | 4 | 0 | 0.4513567 | -1.361 |
| 101899-46-1 | None | -1.337 | 327.332 | -2.8883 | 8 | 4 | 0 | 0.7404913 | 4.2615 |
| 10191-41-0 | None | -7.196 | 430.714 | 9.6438 | 2 | 1 | 1 | 0.122057 | -3.2757 |
| 101932-71-2 | None | -3.689 | 1009.18 | 0.3674 | 19 | 8 | 3 | 0.1337257 | -19.475 |
| 1019-44-9 | None | 0.698 | 220.271 | 0.5207 | 4 | 2 | 0 | 0.4880918 | -8.6728 |
| 101968-71-2 | None | -4.654 | 305.444 | 5.0729 | 2 | 1 | 1 | 0.1347516 | -21.472 |
| 101968-72-3 | None | -5.494 | 336.502 | 6.9467 | 2 | 1 | 1 | 0.0931588 | -24.95 |
| 101968-73-4 | None | -4.981 | 339.889 | 5.3579 | 2 | 1 | 1 | 0.1192969 | -20.575 |
| 101968-74-5 | None | -5.821 | 370.947 | 7.2317 | 2 | 1 | 1 | 0.0836223 | -24.027 |
| 101968-75-6 | None | -5.027 | 305.444 | 4.3964 | 2 | 1 | 0 | 0.1416248 | -5.4214 |
| 101968-76-7 | None | -5.18 | 337.873 | 4.2691 | 2 | 1 | 0 | 0.1390297 | -4.2475 |
| 10197-71-4 | None | -1.642 | 166.132 | 0.6298 | 4 | 2 | 0 | 0.1584776 | -1.8442 |
