Table 5.
Physicochemical and lipophilicity of the target compounds using Swiss absorption, distribution, metabolism, and excretion (ADME) and Molinspiration software.
| Compound | Physicochemical Properties | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Lipophilicity Consensus log P |
MW a g/mol |
Heavy Atoms |
Aromatic Heavy Atoms |
Rot. Bond |
H-Bond Acc. |
H-Bond Don. |
MR b | TPSAc (A2) |
%ABS d | |
| 6a | 2.41 | 385.38 | 29 | 25 | 4 | 5 | 2 | 108.59 | 105.66 | 72.55 |
| 6b | 2.45 | 399.40 | 30 | 25 | 4 | 5 | 1 | 113.49 | 94.80 | 76.29 |
| 6c | 2.32 | 415.40 | 31 | 25 | 5 | 6 | 1 | 114.67 | 104.03 | 73.11 |
| 6d | 2.73 | 399.40 | 30 | 25 | 4 | 5 | 2 | 113.56 | 105.66 | 72.55 |
| 6e | 2.64 | 399.40 | 30 | 25 | 4 | 5 | 2 | 113.56 | 105.66 | 72.55 |
| 6f | 2.72 | 413.43 | 31 | 25 | 4 | 5 | 1 | 118.46 | 94.80 | 76.29 |
| 6g | 2.38 | 415.40 | 31 | 25 | 5 | 6 | 2 | 115.08 | 114.89 | 69.36 |
Abbreviation: MW a, molecular weight; MR b, molar refractivity; TPSA c, topological polar surface area; %ABS d: percentage of absorption.