EcoDrugPlus


Synonyms	Metformin xr
Status
Molecule Category	Mixture

Synonyms

Metformin xr

Status

Molecule Category

Mixture


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


InChI Key	GWWIHNWMWIJWRT-UHFFFAOYSA-N
Smiles	C/N=C(\N)N(C)C(=N)N.Cl
InChI	InChI=1S/C4H11N5.ClH/c1-8-4(7)9(2)3(5)6;/h1-2H3,(H3,5,6)(H2,7,8);1H

InChI Key

GWWIHNWMWIJWRT-UHFFFAOYSA-N

Smiles

C/N=C(\N)N(C)C(=N)N.Cl

InChI

InChI=1S/C4H11N5.ClH/c1-8-4(7)9(2)3(5)6;/h1-2H3,(H3,5,6)(H2,7,8);1H

Property Name	Value
Molecular Formula	C4H11N5
Molecular Weight	129.17
AlogP	-1.24
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	0.0
Polar Surface Area	91.49
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H11N5

Molecular Weight

129.17

AlogP

-1.24

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

0.0

Polar Surface Area

91.49

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

9.0

Resources	Reference
ChEMBL	CHEMBL494397
ChEMBL	CHEMBL1187231
SureChEMBL	SCHEMBL3387222
ZINC	ZINC000033825594

Resources

Reference

ChEMBL

ChEMBL

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).

METFORMIN XR

Structure

Physicochemical Descriptors

Cross References