From: Assessment of lipophilicity of newly synthesized celecoxib analogues using reversed-phase HPLC
Compound | log kw | \(\varphi\) 0 | miLogPa | ALOGPSb | ACD/Labsc | APLOGPc |
---|---|---|---|---|---|---|
11a | 2.59 | 64.83 | 1.96 | 2.20 | 2.28 | 2.07 |
11b | 3.60 | 69.81 | 2.40 | 2.60 | 2.74 | 2.57 |
11c | 3.15 | 75.14 | 2.76 | 3.05 | 3.04 | 2.92 |
11d | 4.78 | 77.99 | 3.21 | 3.38 | 3.5 | 3.33 |
16a | 1.94 | 64.39 | 2.02 | 1.86 | 2.42 | 2.62 |
16b | 2.72 | 72.57 | 2.47 | 1.86 | 2.88 | 2.86 |
17a | 4.59 | 77.97 | 5.33 | 4.37 | 4.12 | 3.83 |
17b | 5.18 | 74.52 | 5.78 | 4.60 | 4.58 | 4.09 |
Celecoxib | 4.18 | 85.51 | 3.61 | 3.99 | 4.61 | 3.92 |
r between log kw values and computed log P valuesd | 0.8397 | 0.9107 | 0.8501 | 0.8283 | ||
r between \(\varphi\)0 values and computed log P valuesd | 0.5548 | 0.7263 | 0.8414 | 0.8143 |