Research Article
The Application of CA and PCA to the Evaluation of Lipophilicity and Physicochemical Properties of Tetracyclic Diazaphenothiazine Derivatives
Table 3
Values of lipophilicity parameters of 5-methyl-12 (
H)-quin [3,4-
b] pyrido [2,3-
e] [
1,
4] thiazine salts 1–11 obtained using computer methods.
| No. | AClogP | ALOGP | ALOGPs | miLogP | MLOGP | XLOGP2 | XLOGP3 |
| 1 | 2.74 | 3.35 | −0.90 | −0.13 | 1.38 | 2.69 | 3.27 | 2 | 3.35 | 4.33 | −0.12 | 1.02 | 2.02 | 3.58 | 4.30 | 3 | 3.44 | 4.09 | −0.30 | 0.83 | 2.02 | 3.49 | 3.96 | 4 | 3.44 | 4.22 | −0.15 | 0.89 | 1.90 | 3.40 | 4.23 | 5 | 3.28 | 3.93 | −0.42 | 0.38 | 1.78 | 2.94 | 3.71 | 6 | 3.76 | 4.45 | −0.13 | 1.30 | 2.14 | 3.85 | 3.96 | 7 | 3.76 | 4.70 | 0.01 | 1.27 | 2.14 | 3.63 | 4.60 | 8 | 3.59 | 4.42 | −0.28 | 0.75 | 2.02 | 3.17 | 4.07 | 9 | 3.06 | 3.83 | −0.75 | 0.25 | 1.63 | 2.92 | 3.64 | 10 | 3.11 | 3.87 | −0.58 | 0.27 | 1.91 | 3.34 | 3.58 | 11 | 2.65 | 2.81 | −1.16 | −0.33 | 1.38 | 2.61 | 2.94 |
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