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. 2017 Nov 30;13(11):388–393. doi: 10.6026/97320630013388

Table 2. In-silico ADMET prediction by OSIRIS property explorer and Lipinski 'Rule of 5' by Molinspiration servers.

Zinc Id Mutagenicity Tumorigenic Irritant Reproductive effect C log p Solubility MW No. of H-acceptor No. of H-donors Rotator bonds Drug liking Drug score
Zinc04280532 + + - - 8.24 10.26 408 1 0 3 -3.36 0.06
Zinc04280533 + - - - 8.24 10.26 408 1 0 3 1.82 0.08
Zinc04280469 + - - - 6.65 -6.9 306 1 0 3 -5 0.09
Zinc04280534 + - - - 6.19 -7.4 322 1 0 3 -3.24 0.1
Zinc04277060 + - - - 5.93 -7.37 326 1 0 3 -0.32 0.14
Zinc04280538 + - - - 6.48 -7.79 342 1 0 3 -0.25 0.13
Zinc16405915 + - - - 5 -5.79 272 2 0 3 -0.09 0.21
Zinc04582923 - - - - 5.49 -6.38 326 2 1 3 -4.92 0.2
Zinc05943723 + - - - 3.2 -5.07 392 4 0 6 -0.67 0.25
Zinc05280554 + + + + 4.46 -4.78 391 6 3 9 1.7 0.12
Zinc06339475 + - - - 5.39 -6.28 336 1 0 3 -5.43 0.11
Zinc04280535 + - - - 6.19 -7.4 322 1 0 3 -1.8 0.11