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. 2024 Nov 14;14:28017. doi: 10.1038/s41598-024-79051-5

Table 2.

Calculated molecular properties of designed compounds by SwissADME web server.

Drug Likeness Lipinski’s rule of 5
Compound no. MWa MLogPb H-bond-accc H-bond-dond Solubility (LogS) TPSAe (Å)
1 245.23 0.09 5 1 − 3.75 94.30
2 349.34 1.42 6 1 − 6.58 97.38
3 383.79 1.91 6 1 − 7.17 97.38
4 417.34 1.98 9 1 − 7.41 97.38
5 435.33 2.36 10 1 − 7.67 97.38
6 417.34 1.98 9 1 − 7.41 97.38
7 385.32 2.18 8 1 − 7.11 97.38
8 367.33 1.80 7 1 − 6.84 97.38

aMW ≤ 500, bMLogP ≤ 5, cH-bond acceptor ≤ 10, dH-bond donor ≤ 5, eTopological polar surface area.