Drug Information

Drug ID:  NPD9215
Drug Name:  Methylpropylpropanediol Dinitrate
Molecular Formula:  C7H14N2O6
Canonical SMILES:  CCCC(ON(=O)=O)(CCON(=O)=O)C
Standard InCHI:  InChI=1S/C7H14N2O6/c1-3-4-7(2,15-9(12)13)5-6-14-8(10)11/h3-6H2,1-2H3
Standard InCHIKey:  SNMKANWYFGWYCK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9215

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
Remote Similarity 0.6571 NPC190117
Remote Similarity 0.6 NPC84750
Remote Similarity 0.5957 NPC85078
Remote Similarity 0.5676 NPC474048

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
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PharmaGKB  
KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  222.09
ALogP  -0.1313
MLogP  1.35
XLogP  2.858
HDA  0
HBD  0
Rotatable Bonds  10
TPSA  110.1
RO5 Violation  0