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Best established docked compounds and bestML compounds used for Boiled Egg plot.
| PubChem ID | MW (g/mol) | TPSA(Å2) | MLOGP | GI absorption | BBB permeant |
|---|---|---|---|---|---|
| 11152946 | 371.9 | 80.5 | 1.75 | High | No |
| 369976 | 401.9 | 89.7 | 1.18 | High | No |
| 25102847 | 501.5 | 98.8 | 2.68 | High | No |
| 71465645 | 606.6 | 148.11 | 2.46 | Low | No |
| 208908 | 581.1 | 115 | 3.44 | Low | No |
| 68155180 | 596.1 | 126.76 | 2.67 | Low | No |
