Drug Information

Drug ID:  NPD9058
Drug Name:  Fluoromethylcholine (18F)
Molecular Formula:  C6H15FNO
Canonical SMILES:  [18F]COCC[N+](C)(C)C
Standard InCHI:  InChI=1S/C6H15FNO/c1-8(2,3)4-5-9-6-7/h4-6H2,1-3H3/q+1/i7-1
Standard InCHIKey:  TYUACEBEGBGGMO-JZRMKITLSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9058

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 0.7667 NPC136014
Intermediate Similarity 0.7188 NPC325909
Intermediate Similarity 0.7143 NPC1591
Remote Similarity 0.6364 NPC326044
Remote Similarity 0.6 NPC59650
Remote Similarity 0.5676 NPC328729
Remote Similarity 0.5625 NPC166294

Drug Structure

External Identifiers

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ChEMBL  
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KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  136.11
ALogP  -1.0266
MLogP  1.79
XLogP  -0.048
HDA  1
HBD  0
Rotatable Bonds  8
TPSA  9.23
RO5 Violation  0