Drug Information

Drug ID:  NPD7370
Drug Name:  Ethyl Nitrite [Spirit]
Molecular Formula:  C2H5NO2
Canonical SMILES:  CCON=O
Standard InCHI:  InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
Standard InCHIKey:  QQZWEECEMNQSTG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7370

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 0.7727 NPC84750
Intermediate Similarity 0.7083 NPC190117
Remote Similarity 0.5714 NPC304836

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PubChem CID  
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Drug Properties

Molecular Weight  75.03
ALogP  -1.6967
MLogP  1.35
XLogP  1.275
HDA  0
HBD  0
Rotatable Bonds  3
TPSA  38.66
RO5 Violation  0