Drug Information

Drug ID:  NPD9749
Drug Name:  
Molecular Formula:  CH2O3
Canonical SMILES:  [O-]C(=O)O
Standard InCHI:  InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
Standard InCHIKey:  BVKZGUZCCUSVTD-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9749

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 NPC327795
Remote Similarity 0.6154 NPC159900
Remote Similarity 0.5714 NPC300325

Drug Structure

External Identifiers

TTD   DAP000128
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   516892
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  60.99
ALogP  -0.5155
MLogP  1.24
XLogP  -0.711
HDA  3
HBD  1
Rotatable Bonds  2
TPSA  60.36
RO5 Violation  0