Table 1 Lipinski profile and BBB models prediction of the seven compounds
From: KIF11 inhibition for glioblastoma treatment: reason to hope or a struggle with the brain?
Compound number | MW | RBT | HBAcc | HBDon | PSA | AlogP | Cerius2 prediction | VolSurf prediction |
|---|---|---|---|---|---|---|---|---|
1 | 583 | 10 | 5 | 1 | 56 | 5.6 | High penetrant (1) | Medium/Undefined |
2 | 355 | 5 | 3 | 3 | 53 | 2.9 | Medium penetrant (2) | Low permeant |
3 | 292 | 5 | 4 | 3 | 73 | 1.7 | Low penetrant (3) | High permeant |
4 | 255 | 2 | 2 | 1 | 26 | 4.4 | Very penetrant (0) | High permeant |
5 | 255 | 2 | 2 | 1 | 26 | 4.4 | Very penetrant (0) | High permeant |
6 | 294 | 4 | 3 | 0 | 41 | 2.9 | High penetrant (1) | High permeant |