From: Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agents
Compound No. | pIC50 Value | R2-slogp | R2-SssCH2Count | R6-HydrogensCount | R3-Psi1 |
---|---|---|---|---|---|
1 | 7.0809 | 0.6361 | 0 | 2 | Nan |
2 | 7.6382 | 1.1785 | 0 | 2 | Nan |
3 | 6.2757 | −0.3915 | 0 | 2 | Nan |
4 | 6.2676 | 0.4985 | 0 | 1 | Nan |
5 | 5.9172 | 0 | 0 | 0 | 0 |
6 | 7.1674 | 1.1785 | 0 | 2 | 0.5154 |
7 | 5.0127 | −0.3915 | 0 | 2 | 0.5154 |
8 | 4.7587 | −0.0014 | 1 | 2 | 0.5154 |
9 | 7.1870 | 1.1785 | 0 | 2 | Nan |
10 | 6.1249 | −0.3915 | 0 | 2 | Nan |
11 | 5.9546 | −0.0014 | 1 | 2 | Nan |
12 | 6.5850 | 0.9581 | 0 | 2 | 0.3846 |
13 | 6.4948 | 0.802 | 0 | 2 | 0.3846 |
14 | 5.9318 | 0.5327 | 0 | 2 | 0.3846 |
15 | 6.5376 | 0.6361 | 0 | 2 | 0.3846 |
16 | 5.6536 | −0.3915 | 0 | 2 | 0.3846 |
17 | 6.2076 | 0.4985 | 0 | 2 | 0.3846 |
18 | 5.2395 | −0.0014 | 1 | 2 | 0.3846 |
19 | 7.3767 | 1.1785 | 0 | 4 | Nan |
20 | 6.3767 | −0.3915 | 0 | 4 | Nan |
21 | 6.004 | −0.0014 | 1 | 4 | Nan |
22 | 7.0604 | 1.1785 | 0 | 1 | Nan |
23 | 7.4814 | 1.1785 | 0 | 2 | Nan |
24 | 6.2441 | −0.3915 | 0 | 2 | Nan |
25 | 5.9625 | −0.0014 | 1 | 2 | Nan |
26 | 6.4814 | 0.246 | 0 | 2 | Nan |
27 | 7.3279 | 1.1785 | 0 | 2 | Nan |
28 | 7.2518 | 1.1785 | 0 | 1 | Nan |
29 | 5.9065 | −0.3915 | 0 | 1 | 1.7976 |
30 | 5.4647 | −0.0014 | 1 | 1 | Nan |
31 | 6.2291 | 0.4985 | 0 | 1 | Nan |
32 | 6.7212 | 1.1785 | 0 | 4 | 0.3846 |
33 | 7.1023 | 0.4985 | 0 | 4 | Nan |
34 | 5.9507 | −0.3915 | 0 | 4 | Nan |
35 | 5.8446 | −0.0014 | 1 | 4 | Nan |
36 | 7.8239 | 1.1785 | 0 | 4 | Nan |
37 | 6.0705 | 0.246 | 0 | 2 | Nan |