Samples of traditional and decaffeinated commercial coffee blends were evaluated to check their physicochemical composition, total phenolic compounds (TPC), melanoidins, caffeine, and antioxidant activity by ABTS. In addition, the aim was to detect any possible differences between decaffeinated coffee (DC) and traditional coffee (TC) resulting from the decaffeination process, such as loss of bioactive properties. Samples DC1 and DC2 had lower and higher pH and total titratable acidity values, respectively, while TC1 and TC3 had better total soluble solids values. This combination of results indicates better beverage quality in traditional coffees in general. DC1 and DC2 also obtained lower values for protein and ash, while TC3 and DC1 obtained higher values for TPC. TC1 obtained the best results for melanoidins, and no sample differed statistically regarding antioxidant activity. Through in silico ADME analysis, it was possible to observe that caffeine has a high absorption rate by the gastrointestinal tract with approximately 99.27 % efficiency. Some important proteins in humans that act in the removal of exogenous molecules, such as drugs in general, did not show affinity for caffeine as a substrate, which seems to contribute to its high absorption. The decaffeinated samples had a caffeine content that aligned with Brazilian legislation. Like the traditional ones, the decaffeinated samples had results that point to consumption that provides various health benefits, as well as contributing to lovers of the drink who suffer from sleep deprivation disorder.