Table 3.
Osiris calculations of toxicity risks of compounds 1–6 and Penicillin G as Standard Drug.
| Compound | MW |
Toxicity Risks[a] |
Osiris calculations[b] |
||||||
|---|---|---|---|---|---|---|---|---|---|
| MUT | TUM | IRRI | REP | cLogP | cLogS | DL | DS | ||
| 1 | 279 | +++ | +++ | — | +++ | 2.96 | -3.49 | 0.37 | 0.40 |
| 2 | 309 | +++ | +++ | +++ | +++ | 2.89 | -3.51 | -1.84 | 0.47 |
| 3 | 293 | +++ | +++ | +++ | +++ | 3.30 | -3.83 | -0.54 | 0.54 |
| 4 | 357 | +++ | +++ | +++ | +++ | 3.69 | -4.32 | -2.74 | 0.36 |
| 5 | 313 | +++ | +++ | +++ | +++ | 3.57 | -4.23 | 3.38 | 0.71 |
| 6 | 324 | +++ | +++ | +++ | +++ | 2.04 | -3.95 | -14.3 | 0.41 |
| SD[c] | 334 | — | — | +++ | +++ | 1.54 | -2.04 | 11.28 | 0.33 |
[a]Highly toxic: (—), Slightly toxic: (+), Not toxic (+++).[a]MUT: Mutagenic, TUM: Tumorigenic, IRRIT: Irritant, RE: Reproductive effective.[b]Sol: Solubility, DL: Druglikness, DS: Drug-Score.[c]SD: Standard Drug (Penicillin G).