Table 2. Calculated Partition and Permeation Coefficients for Different APIs and Their Fructose Prodrugs through a DPPC/DPPG/Chol (75:10:15) Membrane at 293 K, Using 5 Calculations through Randomly Chosen MD Snapshots from the Last 10 ns of Simulation.

molecule	log K (mol/mol)	log Perm (cm/s)
cytarabine (Cyt)	–0.68 ± 0.17	–13.19 ± 0.04
Cyt-fru	–1.35 ± 0.05	–17.31 ± 0.04
fluorouracil (FU)	0.69 ± 0.11	–7.28 ± 0.04
FU-fru	–1.13 ± 0.06	–11.21 ± 0.04
abiraterone (Abi)	5.95 ± 0.98	–4.59 ± 0.79
Abi-fru	2.70 ± 0.72	–4.00 ± 0.61
paliperidone (Pali)	2.95 ± 0.43	–4.24 ± 0.58
Pali-fru	0.63 ± 0.38	–6.59 ± 0.97