Targeting Shikimate Kinase Pathway of Acinetobacter baumannii: A Structure-Based Computational Approach to Identify Antibacterial Compounds

Table 1

Drug-like properties of the top lead compounds and doxycycline from QikProp module of Schrödinger software.

Name	MW (g/mol)	AlogP	HBA	HBD	RB	PSA (Å^2)
CHEMBL1237	390.5131	4.41	3	2	10	86.99
CHEMBL1237119	390.5131	4.41	3	2	10	86.99
CHEMBL2018096	404.4518	2.26	5	4	4	118.39
CHEMBL39167178	445.4921	3.8751	5	1	6	90.52
Doxycycline	444.43	−0.28	9	6	2	181.62