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Table 4 The calculation of the ADME properties of compound

From: Screening and identification of potential inhibitor for visceral leishmaniasis (VL) through computational analysis

Compounds id M/W Donor HB Acceptor HB Qplog pw Qplog po/w Qplog HERG Qpp caco Qpp MDCK Rule of 5 Rule of 3 Human oral absorption (%)
Maybridge_ 489 390.4 3.000 6.200 12.126 3.624 − 7.163 336.989 2061.0 0 0 93
Enamine_87271 235.2 2.250 3.750 13.319 1.173 − 2.791 309.798 406.122 0 0 78
Specs_104059 424.3 6.000 8.500 20.933 0.686 − 7.082 3.028 0.937 1 1 100