Natural Product: NPC238135

Natural Product ID:  NPC238135
Common Name:   2-(2-Butoxyethoxy)Ethanol
IUPAC Name:   2-(2-butoxyethoxy)ethanol
Synonyms:  
Molecular Formula:   C8H18O3
Standard InCHIKey:  OAYXUHPQHDHDDZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
Canonical SMILES:  CCCCOCCOCCO
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

  Biological Activity

  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 NPC238135 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC238135 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Structure

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External Identifiers

PubChem CID   8177
ChEMBL   CHEMBL1904721
ZINC  

Physicochemical Properties

Molecular Weight:  162.13
ALogP:  -1.2352
MLogP:  2.01
XLogP:  0.471
# Rotatable Bonds:  10
Polar Surface Area:  38.69
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  11

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Similar NPs/Drugs