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. 2021 Dec 22;12(1):561–577. doi: 10.1039/d1ra08055e

Predictive toxicity of the synthesized compounds according to molinspiration software.

Comp. no. Toxicity risks Solubility Drug-likeness Drug score
Mutagenicity Tumorigenicity Irritancy Reproductive effect
1 Red Red Green Green −2.62 5.3 0.33
3a Red Red Green Green −5.83 0.88 0.18
3b Red Red Green Green −5.5 1.85 0.19
3c Red Red Green Green −5.43 0.05 0.16
3d Red Red Green Green −5.08 5.14 0.23
5a Red Red Green Green −6.94 5.38 0.16
5b Red Red Green Green −5.22 5.8 0.23
5c Red Red Green Green −4.92 5.19 0.24
5d Red Red Green Green −7.68 5.83 0.14