EcoDrugPlus


Synonyms	Noxyflex Noxyflex 100 Noxyflex-s Noxyflex-s 100 Noxythiolin Noxytiolin
Status
Molecule Category	UNKNOWN
ATC	B05CA07
UNII	4DN3AF1FU6

Synonyms

Noxyflex

Noxyflex 100

Noxyflex-s

Noxyflex-s 100

Noxythiolin

Noxytiolin

Status

Molecule Category

UNKNOWN

ATC

B05CA07

UNII

4DN3AF1FU6


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	JLMHZVYLAQPMOZ-UHFFFAOYSA-N
Smiles	CNC(=S)NCO
InChI	InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)

InChI Key

JLMHZVYLAQPMOZ-UHFFFAOYSA-N

Smiles

CNC(=S)NCO

InChI

InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)

Property Name	Value
Molecular Formula	C3H8N2OS
Molecular Weight	120.18
AlogP	-0.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	44.29
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C3H8N2OS

Molecular Weight

120.18

AlogP

-0.97

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

44.29

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
ChEBI	134756
ChEMBL	CHEMBL2106441
DrugBank	DB13838
DrugCentral	3391
FDA SRS	4DN3AF1FU6
PubChem	5251503
SureChEMBL	SCHEMBL171505
ZINC	ZINC000001482128

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

NOXYTIOLIN

Structure

Physicochemical Descriptors

Cross References