Skip to main content

Table 3 Predicted drug-likeness based on the Lipinski’s rule including bioavailability (BA) and synthetic accessibility (SA) of compound 28, designed compounds and vemurafenib

From: Docking-based strategy to design novel flavone-based arylamides as potent V600E-BRAF inhibitors with prediction of their drug-likeness and ADMET properties

SN

Mol. wt

HBA

HBD

Log P

TPSA (Å2)

BA

SA

28

496.310

6

2

4.850

98.000

0.550

3.430

N1

545.770

6

3

4.790

124.020

0.550

3.600

N2

571.330

9

2

4.650

153.050

0.170

3.930

N3

662.460

10

3

5.090

198.370

0.170

4.470

Vem

489.920

6

2

4.970

100.300

0.550

3.380

  1. Mol. wt. molecular weight, HBA hydrogen bond acceptor, HDB hydrogen bond donor, TPSA topological polar surface area