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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