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Table 3 Contribution of various physico-chemical descriptors

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