Drug Information

Drug ID:  NPD8213
Drug Name:  Dimethylcarbate
Molecular Formula:  C3H7NO2
Canonical SMILES:  CN(C(=O)O)C
Standard InCHI:  InChI=1S/C3H7NO2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
Standard InCHIKey:  DWLVWMUCHSLGSU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8213

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 0.6818 NPC66757

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PubChem CID  
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Drug Properties

Molecular Weight  89.05
ALogP  -0.0281
MLogP  1.46
XLogP  -0.298
HDA  3
HBD  1
Rotatable Bonds  4
TPSA  40.54
RO5 Violation  0