Natural Product: NPC157340

Natural Product ID:  NPC157340
Common Name:   Glycerin
IUPAC Name:   propane-1,2,3-triol
Synonyms:   E422; Glycerin; Glycerol; Glycogelatin; Keybells; Monoctanoin Component D; Nirolex; Ophthalgan; Optim; Osmoglyn; Senokot Direct Relief; Tixylix Baby; Tixylix Toddler; Waterhouse
Molecular Formula:   C3H8O3
Standard InCHIKey:  PEDCQBHIVMGVHV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
Canonical SMILES:  OCC(CO)O
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 NPC157340 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 NPC157340 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   753
ChEMBL   CHEMBL692
ZINC  

Physicochemical Properties

Molecular Weight:  92.05
ALogP:  -1.4081
MLogP:  1.46
XLogP:  -1.88
# Rotatable Bonds:  5
Polar Surface Area:  60.69
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  6

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Similar NPs/Drugs