Drug Information

Drug ID:  NPD8613
Drug Name:  Acetylglycinamide Chloral Hydrate
Molecular Formula:  C4H8N2O2.C2H3Cl3O2
Canonical SMILES:  OC(C(Cl)(Cl)Cl)O.CC(=NCC(=N)O)O
Standard InCHI:  InChI=1S/C4H8N2O2.C2H3Cl3O2/c1-3(7)6-2-4(5)8;3-2(4,5)1(6)7/h2H2,1H3,(H2,5,8)(H,6,7);1,6-7H
Standard InCHIKey:  IYWCBBFJDGWEAZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8613

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

This browser does not support HTML5/Canvas.

External Identifiers

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

Drug Properties

Molecular Weight  116.06
ALogP  -0.3551
MLogP  1.46
XLogP  -0.43
HDA  4
HBD  3
Rotatable Bonds  5
TPSA  76.67
RO5 Violation  0