Table 4.
Compound |
Toxicity risk1 |
cLogP | Solubility | MW | Drug- likeness | Drug-score | |||
---|---|---|---|---|---|---|---|---|---|
M2 | T3 | I4 | R5 | ||||||
7 |
- |
- |
- |
- |
0.06 |
-2.57 |
165 |
-1.88 |
0.54 |
8 |
- |
- |
- |
- |
0.92 |
-2.2 |
182 |
0.87 |
0.81 |
9 |
- |
- |
- |
- |
0.25 |
-2.12 |
166 |
-1.75 |
0.55 |
10 |
- |
- |
- |
- |
0.75 |
-2.06 |
181 |
1.39 |
0.86 |
11 |
- |
- |
- |
- |
1.04 |
-1.7 |
195 |
2.39 |
0.94 |
12 |
- |
- |
- |
- |
2.29 |
-3.55 |
257 |
2.46 |
0.82 |
13 |
- |
- |
- |
- |
2.61 |
-3.89 |
271 |
0.76 |
0.68 |
14 |
+ |
± |
- |
- |
2.19 |
-3.56 |
287 |
0.7 |
0.34 |
15 |
- |
- |
- |
- |
2.35 |
-3.86 |
275 |
0.7 |
0.69 |
Indomethacin |
- |
- |
- |
- |
3.83 |
-5.4 |
357 |
7.59 |
0.57 |
Celecoxib | - | - | - | - | 2.27 | -5.4 | 365 | -9.50 | 0.31 |
1Ranked according to: (-) no bad effect, (±) medium bad effect, (+) bad effect; 2 M, Mutagenic effect; 3 T, Tumorgenic effect; 4I, Irritating effect; 5R, Reproductive effect.