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. 2020 Feb 23;21(4):1523. doi: 10.3390/ijms21041523

Table 3.

The best five compounds of ADMET properties are calculated by Osiris molecular property explorer.

Properties CID6917760 CID9820229 CID5221957 CID389556 CID10900930 AG1
Mutagenic No No No Partial No No
Tumorigenic No No No Partial No No
Irritant No No No No No No
Reproductive effect No No No No No No
cLogP 4.77 4.76 4.63 3.55 3.61 4.22
Solubility ne–3.99 ne–4.41 ne–3.84 ne–4.38 ne–4.40 ne–5.18
MW 330 359 400 246 246 438
TPSA 19.03 Å2 22.27 Å2 38.06 Å2 31.58 Å2 31.58 Å2 106.2 Å2
Drug likeness 2.81 7.9 7.97 0.11 2.77 1.76
Drug score 0.62 0.59 0.62 0.36 0.70 0.48