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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