Table 4.
Drug-Likeness Score and toxicity risks calculation of hybrids 9-12 based on OSIRIS property explorer
| Compounds | Toxicity risk a | Drug-relevant properties | |||||
| Mutagenicity | Tumorigenicity | Irritant effect | Reproductive effect |
Solubility
(LogS) b |
Drug-likeness c | Drug Score (%) | |
| 9a | Green | Green | Green | Green | -2.42 | -1.82 | 52 |
| 9b | Green | Green | Green | Green | -2.72 | -3.01 | 46 |
| 9c | Green | Green | Green | Green | -2.99 | 0.29 | 69 |
| 10a | Green | Green | Green | Green | -5.73 | 0.18 | 33 |
| 10b | Green | Green | Green | Green | -6.03 | -1.04 | 24 |
| 10c | Green | Green | Green | Green | -6.30 | 2.28 | 31 |
| 11a | Green | Green | Green | Green | -4.67 | -0.29 | 46 |
| 11b | Green | Green | Green | Green | -4.97 | -1.4 | 35 |
| 11c | Green | Green | Green | Green | -5.24 | 1.92 | 48 |
| 12a | Green | Green | Green | Green | -3.98 | 0.94 | 65 |
| 12b | Green | Green | Green | Green | -4.28 | -0.26 | 47 |
| 12c | Green | Green | Green | Green | -4.55 | 3.07 | 56 |
aGreen indicates no risk or low risk; yellow indicates medium risk, and red indicates more toxicity risk. blog S for aqueous solubility (ranging from -6.5 to 0.5 according to 95% of approved Drugs). CA positive number indicates a promising active compound.