Drug Information

Drug ID:  NPD8594
Drug Name:  Succinic acid
Molecular Formula:  C4H6O4
Canonical SMILES:  OC(=O)CCC(=O)O
Standard InCHI:  InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Standard InCHIKey:  KDYFGRWQOYBRFD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD8594

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Drug Structure

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External Identifiers

TTD   DIB005716; DAP000545
DrugBank   DB00139
ChEMBL   CHEMBL576
IUPHAR/BPS  
PharmaGKB   PA164747739
KEGG Drug  
PubChem CID   1110
ChEBI   15741
CAS Number  110-15-6

Drug Properties

Molecular Weight  118.03
ALogP  -0.41
MLogP  1.46
XLogP  -0.71
HDA  4
HBD  2
Rotatable Bonds  5
TPSA  74.6
RO5 Violation  0