Natural Product: NPC272307

Natural Product ID:  NPC272307
Common Name:   2-Propan-2-Yloxyethanol
IUPAC Name:   2-propan-2-yloxyethanol
Synonyms:  
Molecular Formula:   C5H12O2
Standard InCHIKey:  HCGFUIQPSOCUHI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
Canonical SMILES:  OCCOC(C)C
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 NPC272307 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 NPC272307 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   7996
ChEMBL   CHEMBL3187409
ZINC  

Physicochemical Properties

Molecular Weight:  104.08
ALogP:  -0.539
MLogP:  1.79
XLogP:  0.194
# Rotatable Bonds:  6
Polar Surface Area:  29.46
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  7

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Similar NPs/Drugs