Table 7.
Osiris calculation of MCM, MCFA and reference drug
| Compound | Osiris calculations | |||||
|---|---|---|---|---|---|---|
| cLogP | Solubility | MW | Drug-likeliness | Drug score | Toxicity | |
| Monolaurin | 3.59 | − 2.95 | 274 | − 25.4 | 0.41 | – |
| Monocaprin | 2.68 | − 2.41 | 246 | − 25.4 | 0.45 | – |
| Monocaprylin | 1.77 | − 1.87 | 218 | − 25.52 | 0.47 | – |
| Monocaproin | 0.86 | − 1.33 | 190 | − 15.74 | 0.17 | – |
| Monomyristin | 4.49 | − 3.49 | 302 | − 25.44 | 0.35 | – |
| Caproic acid | 1.52 | − 1.54 | 116 | − 13.09 | 0.17 | M, I |
| Caprylic acid | 2.43 | − 2.08 | 144 | − 25.32 | 0.17 | M, I |
| Capric acid | 3.34 | − 2.62 | 172 | − 25.22 | 0.16 | M, I |
| Lauric acid | 4.24 | − 3.16 | 200 | − 26.22 | 0.08 | M, T, I |
| Myristic acid | 5.15 | − 3.70 | 228 | − 25.22 | 0.12 | M, I |
| Reference molecule | ||||||
| Aspirin | 1.13 | − 1.93 | 180 | − 0.48 | 0.14 | M, T, R |
| Ibuprofen | 3.00 | − 2.89 | 206 | 3.97 | 0.31 | M, R |
| Paracetamol | 1.02 | − 1.66 | 151 | 1.93 | 0.20 | M, T, R |
clogP: LogP (octanol/water partition coefficient), MW: Molecular Weight, M: Mutagenic, I: Irritant, T: Tumorigenic, R: Reproductive effective, no toxicity: -