Marine Natural Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| 104196-68-1 | None | -5.781 | 548.772 | 6.5436 | 5 | 2 | 2 | 0.115076 | -2.2323 |
| 1042-59-7 | None | -4.999 | 316.527 | 5.1466 | 1 | 1 | 1 | 0.2871605 | -2.1839 |
| 10431-00-2 | None | -3.239 | 274.443 | 4.389 | 3 | 2 | 0 | 0.2219272 | -25.055 |
| 10431-02-4 | None | -3.779 | 302.497 | 5.2978 | 3 | 2 | 1 | 0.1814516 | -25.055 |
| 10431-06-8 | None | -3.821 | 314.508 | 5.5 | 3 | 2 | 1 | 0.1734442 | -25.974 |
| 104311-70-8 | None | -4.489 | 419.282 | 0.5228 | 8 | 5 | 0 | 0.6805575 | 3.0181 |
| 104320-35-6 | None | -2.025 | 414.365 | 1.4154 | 9 | 8 | 1 | 0.3542002 | -0.3525 |
| 104364-12-7 | None | -3.631 | 240.385 | 5.1198 | 2 | 1 | 1 | 0.323244 | -16.17 |
| 104387-07-7 | None | -4.339 | 504.661 | 3.2974 | 7 | 4 | 1 | 0.5446758 | 2.37 |
| 104387-08-8 | None | -4.339 | 504.661 | 3.2974 | 7 | 4 | 1 | 0.5375226 | 2.0843 |
| 104387-11-3 | None | -1.723 | 337.26 | 2.8658 | 3 | 1 | 0 | 0.4360883 | -9.4215 |
| 104387-13-5 | None | -5.0 | 404.37 | 5.0893 | 3 | 0 | 1 | 0.0714944 | -3.9608 |
| 104387-14-6 | None | -4.831 | 389.379 | 5.8617 | 2 | 1 | 1 | 0.2374335 | -2.7369 |
| 104406-80-6 | None | -3.929 | 462.624 | 2.8128 | 6 | 5 | 0 | 0.6061027 | 1.4995 |
| 104418-60-2 | None | -4.339 | 504.661 | 3.2974 | 7 | 4 | 1 | 0.5446758 | 2.37 |
| 104420-77-1 | None | 0.423 | 356.323 | -4.03 | 11 | 7 | 2 | 0.4614647 | -7.2031 |
| 104422-22-2 | None | -3.244 | 188.225 | 2.8446 | 2 | 1 | 0 | 0.2667119 | -3.6996 |
| 104422-23-3 | None | -3.858 | 216.279 | 3.5266 | 2 | 0 | 0 | 0.2402662 | -3.8331 |
| 104485-07-6 | None | -2.165 | 202.256 | 1.7074 | 3 | 3 | 0 | 0.9350978 | 4.2355 |
| 104532-58-3 | None | -5.538 | 436.63 | 8.264 | 5 | 0 | 1 | 0.0894777 | -21.146 |
| 104537-94-2 | None | -4.048 | 322.319 | 2.4146 | 6 | 2 | 0 | 0.380181 | -1.3349 |
| 104-54-1 | None | -2.017 | 134.177 | 1.8235 | 1 | 1 | 0 | 0.1175467 | -1.7737 |
| 10457-66-6 | None | -2.939 | 246.349 | 5.1625 | 2 | 2 | 1 | 0.3475456 | -3.3766 |
| 10457-69-9 | None | -4.189 | 302.456 | 3.9241 | 2 | 0 | 0 | 0.5851088 | 0.64167 |
| 104597-39-9 | None | -5.538 | 436.63 | 8.264 | 5 | 0 | 1 | 0.0894777 | -21.146 |
