Drug Information

Drug ID:  NPD7357
Drug Name:  
Molecular Formula:  C2H3O3
Canonical SMILES:  [O-]CC(=O)[O-]
Standard InCHI:  InChI=1S/C2H3O3/c3-1-2(4)5/h1H2,(H,4,5)/q-1/p-1
Standard InCHIKey:  QLDKTTIRBHACAR-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7357

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
Intermediate Similarity 0.7826 NPC165122
Intermediate Similarity 0.7727 NPC307812
Remote Similarity 0.6923 NPC316272
Remote Similarity 0.6667 NPC232172
Remote Similarity 0.6667 NPC137050
Remote Similarity 0.6364 NPC301950
Remote Similarity 0.625 NPC23508
Remote Similarity 0.6207 NPC307739
Remote Similarity 0.6207 NPC329270
Remote Similarity 0.6207 NPC76217
Remote Similarity 0.6 NPC114586
Remote Similarity 0.6 NPC110107
Remote Similarity 0.5909 NPC68873
Remote Similarity 0.5909 NPC283245
Remote Similarity 0.5909 NPC7922
Remote Similarity 0.5862 NPC5934
Remote Similarity 0.5806 NPC140229
Remote Similarity 0.5769 NPC3693
Remote Similarity 0.5769 NPC32280
Remote Similarity 0.5769 NPC41485
Remote Similarity 0.5714 NPC88135
Remote Similarity 0.5652 NPC37493
Remote Similarity 0.5652 NPC173862
Remote Similarity 0.5625 NPC325165
Remote Similarity 0.56 NPC8187

Drug Structure

External Identifiers

TTD   DIB004360
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  74.00
ALogP  -1.9135
MLogP  1.35
XLogP  -1.598
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  63.19
RO5 Violation  0