Natural Product: NPC318463

Natural Product ID:  NPC318463
Common Name:   N-Methylacetamide
IUPAC Name:   N-methylacetamide
Synonyms:   N-Methyl-Acetamide
Molecular Formula:   C3H7NO
Standard InCHIKey:  OHLUUHNLEMFGTQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
Canonical SMILES:  CN=C(O)C
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
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 6916.7 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 NPC318463 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
0.7727 Intermediate Similarity NPC85447
0.7391 Intermediate Similarity NPC319972
0.7308 Intermediate Similarity NPC290188
0.6667 Remote Similarity NPC260324
0.6667 Remote Similarity NPC165568
0.6667 Remote Similarity NPC328698
0.6129 Remote Similarity NPC145895
0.6087 Remote Similarity NPC8249
0.6071 Remote Similarity NPC322649
0.5882 Remote Similarity NPC25237
0.5862 Remote Similarity NPC254685
0.5714 Remote Similarity NPC199978

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC318463 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
0.7391 Intermediate Similarity NPD7369 Approved
0.7143 Intermediate Similarity NPD8613 Approved
0.5862 Remote Similarity NPD8622 Discontinued

Structure

External Identifiers

PubChem CID   6582
ChEMBL   CHEMBL11544
ZINC  

Physicochemical Properties

Molecular Weight:  73.05
ALogP:  -0.3057
MLogP:  1.57
XLogP:  0.294
# Rotatable Bonds:  3
Polar Surface Area:  32.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  5

Download Data

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Similar NPs/Drugs