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. 2021 Oct 18;45(5):633–643. doi: 10.3906/biy-2104-14

Table .

Druglikeness analysis of identified common anticancer compounds. Identified small molecules from Meinox library of compounds were analyzed for their MW, cLogP, cLogS, Polar surface area, druglikeness, and predicted for mutagenicity, tumorigenicity, reproductive effect, and irritation.

Meinox ID Total MW* cLogP** cLogS*** Polar surface area**** Druglikeness***** Mutagenicityprediction Tumorigenicprediction Reproductiveeffect prediction Irritantprediction
Mx00102 474.6 0.7341 –2.603 93.8 10.497 None None None None
Mx00201 336.8 2.7981 –4.147 52.83 –3.4385 None None None None
Mx00519 373.5 3.7552 –6.194 99.94 –4.9099 High Low High None
Mx00581 631.7 3.4038 –4.399 122.52 6.0525 None None None None
Mx00623 251.3 3.3101 –3.822 42.35 –1.5828 None None None None
Mx00691 421.5 0.461 –1.959 103.2 6.6593 None None None None
Mx00710 349.4 2.6014 –4.478 77.15 1.0293 None None None None
Mx00711 443.3 2.572 –4.583 97.62 –4.5155 None None Low None
Mx00715 958.2 6.4181 –6.634 204.66 1.9808 None None None None
Mx00737 285.2 –1.2693 –2.91 139.54 –2.2482 None None None None
Mx00745 195.2 –0.0922 –2.203 121.41 2.2769 Low None None None
Mx00771 219.3 –0.8458 –0.277 84.16 2.5386 None None None None
Mx00794 442.3 3.5729 –5.378 84.73 –4.5155 None None Low None
Mx00796 449.5 5.3826 –6.258 95.51 –2.2098 None High None None

*Good < 450, **Good < 5, ***Good > –4, ****Good < 60, ****Good > 0).