Natural Product: NPC165568

Natural Product ID:  NPC165568
Common Name:   Monofluoroacetamide
IUPAC Name:   2-fluoroacetamide
Synonyms:   2-Fluoro-Acetamide; Monofluoroacetamide
Molecular Formula:   C2H4FNO
Standard InCHIKey:  FVTWJXMFYOXOKK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)
Canonical SMILES:  OC(=N)CF
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO29545 Capsici fructus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1347 Protein Family Alcohol dehydrogenase Equus caballus Ki = 38904514.5 nM 2939242
NPT2 Others Unspecified Potency 1096.2 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC165568 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8571 High Similarity NPC85447
0.6923 Remote Similarity NPC199978
0.6667 Remote Similarity NPC318463
0.6667 Remote Similarity NPC61558
0.6667 Remote Similarity NPC319972
0.6429 Remote Similarity NPC254685
0.6207 Remote Similarity NPC32955
0.6071 Remote Similarity NPC193043
0.5862 Remote Similarity NPC65940
0.5806 Remote Similarity NPC95174
0.5769 Remote Similarity NPC13890
0.5625 Remote Similarity NPC328698

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC165568 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.6667 Remote Similarity NPD7369 Approved
0.6429 Remote Similarity NPD8622 Discontinued
0.6 Remote Similarity NPD8613 Approved
0.6 Remote Similarity NPD8794 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   12542
ChEMBL   CHEMBL160811
ZINC  

Physicochemical Properties

Molecular Weight:  77.03
ALogP:  0.1963
MLogP:  1.35
XLogP:  0.426
# Rotatable Bonds:  3
Polar Surface Area:  44.08
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  5

Download Data

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Similar NPs/Drugs