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Egyptian Journal of Medical Human Genetics

Table 4 Ligand efficiency score and drug-likeness properties based on Lipinski’s rule

From: Ligand-based drug design and molecular docking simulation studies of some novel anticancer compounds on MALME-3M melanoma cell line

SN

LE score

Mol.Wt.

HBA

HBD

Log P

39

− 0.13

785.09

8

2

4.49

N1

− 0.21

863.99

8

2

4.25

N2

− 0.23

819.54

8

2

4.14

N3

− 0.22

830.09

10

2

4.39

N4

− 0.23

815.12

9

2

4.49

  1. LE Ligand efficiency, Mol. Wt. molecular weight, HBA Hydrogen bond acceptor, HDB Hydrogen bond donor, TPSA Topological polar surface area
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