Entry | Compound | BL21 | FICI | HN88 | FICI | ClogP | TpsA | |||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
Cpd alone | MRM: Cpd | Cpd alone | MRM: Cpd | |||||||||
1 | MRM | N.A | N.A | N.A |  ≥ 256 | N.A | N.A |  ≥ 256 | N.A | N.A | N.A | N.A |
2 | 4a | H | H | 2 | 1 | 0.503906 | 8 | 4 | 0.515625 | 2.472 | 20.31 | |
3 | 4b | H | H |  ≥ 256 | 128 | 1 |  ≥ 256 | 128 | 1 | 0.894 | 63.68 | |
4 | 4c | H | H |  ≥ 256 |  ≥ 256 | 2 |  ≥ 256 | 128 | 1 | 2.171 | 20.31 | |
5 | 5a | H | Cl |  ≤ 0.032 | 0.125 | 3.906738 | 2 | 2 | 1.007813 | 3.185 | 20.31 | |
6 | 5b | H | Cl |  ≥ 256 | 128 | 1 |  ≥ 256 | 128 | 1 | 1.607 | 63.68 | |
7 | 5c | H | Cl | 8 |  ≤ 4 | 0.515625 | 32 | 16 | 0.5625 | 3.0238 | 29.54 | |
8 | 5d | H | Cl |  ≥ 256 | 128 | 1 |  ≥ 256 | 128 | 1 | 2.634 | 20.31 | |
9 | 5e | H | Cl |  ≥ 256 | 64 | 0.5 |  ≥ 256 | 128 | 1 | 1.575 | 66.81 | |
10 | 5f | C8H17 | H | Cl | 4 |  ≤ 1 | 0.253906 | 4 | 8 | 2.03125 | − 4.203 | 20.31 |
11 | 5Â g | H | Cl | 0.064 | 0.125 | 1.9536 | 4 | 4 | 1.0156 | 0.703 | 20.31 | |
12 | 6 | Cl | Cl |  ≥ 256 | 32 | 0.25 |  ≥ 256 |  ≥ 256 | 2 | 3.778 | 20.31 | |
13 | 7 | Cl | H | 8 or 16 | 2 | 0.257813 | 16 | 16 | 1.0625 | 3.185 | 20.31 | |
14 | 8 | Br | H | 4 | 4 | 1.015625 | 32 | 16 | 0.5625 | 3.335 | 3.335 | |
15 | 9 | H | Cl |  ≥ 128 |  ≥ 128 | 1.5 |  ≥ 128 |  ≥ 128 | 1.5 | − 0.273 | 29.1 |