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Table 1 ADMET profiling of the top 10 non-toxic screened compounds, highlighting key Pharmacokinetic and toxicity parameters relevant for drug-likeness assessment

From: Comprehensive screening of potential inhibitors from ZINC15 database for Metallo-L1 Β -Lactamase from Stenotrophomonas maltophilia via in Silico and in vitro approaches

ZINC ID

Mol wt.

(g/mol)

Log p

Lipinski

Ghose

Verber

Egan

Muegge

PAINS

GI solubility

AMES toxicity

CYP inhibition

ZINC000000393032

245.28

4.25

yes

yes

yes

yes

yes

0 alert

High

Non toxic

low

ZINC000742221528

248.28

3.51

yes

yes

yes

yes

yes

0 alert

High

Non toxic

low

ZINC000007000921

239.3

2.96

yes

yes

yes

yes

yes

0 alert

High

non toxic

high

ZINC000108190035

249.35

3.76

yes

yes

yes

yes

no

0 alert

High

non toxic

high

ZINC000301829834

249.31

3.13

yes

yes

yes

yes

no

1 alert

High

non toxic

high

ZINC000000616394

244.29

2.93

yes

yes

yes

yes

yes

0 alert

High

non toxic

low

ZINC000192605700

249.31

3.13

yes

yes

yes

yes

yes

1 alert

High

non toxic

high

ZINC000634582851

246.28

2.97

yes

yes

yes

yes

yes

0 alert

High

non toxic

high

ZINC000001718904

242.43

2.71

yes

yes

yes

yes

yes

0 alert

High

non toxic

low

ZINC001242360271

249.31

2.88

yes

yes

yes

yes

yes

0 alert

High

non toxic

high