Drug Information

Drug ID:  NPD7352
Drug Name:  
Molecular Formula:  C2H2O4
Canonical SMILES:  OC(=O)C(=O)O
Standard InCHI:  InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
Standard InCHIKey:  MUBZPKHOEPUJKR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7352

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

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC301950
Intermediate Similarity 0.7083 NPC165122
Remote Similarity 0.6296 NPC316272
Remote Similarity 0.625 NPC307812
Remote Similarity 0.6207 NPC329270
Remote Similarity 0.5909 NPC68873
Remote Similarity 0.5909 NPC7922
Remote Similarity 0.5667 NPC212144
Remote Similarity 0.5667 NPC76217
Remote Similarity 0.5667 NPC307739

Drug Structure

External Identifiers

TTD   DIB015996
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   22474
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  90.00
ALogP  -0.4796
MLogP  1.24
XLogP  -0.688
HDA  4
HBD  2
Rotatable Bonds  3
TPSA  74.6
RO5 Violation  0