Drug Information

Drug ID:  NPD8615
Drug Name:  Sodium Butyrate
Molecular Formula:  C4H8O2.Na
Canonical SMILES:  [O-]C(=O)CCC.[Na+]
Standard InCHI:  InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
Standard InCHIKey:  MFBOGIVSZKQAPD-UHFFFAOYSA-M
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8615

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Drug Structure

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External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  87.04
ALogP  -1.1195
MLogP  1.68
XLogP  0.261
HDA  2
HBD  0
Rotatable Bonds  4
TPSA  40.13
RO5 Violation  0