Drug Information

Drug ID:  NPD8607
Drug Name:  Creatinine
Molecular Formula:  C4H7N3O
Canonical SMILES:  OC1=NC(=N)N(C1)C
Standard InCHI:  InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
Standard InCHIKey:  DDRJAANPRJIHGJ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8607

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  113.06
ALogP  -0.7855
MLogP  1.46
XLogP  0.015
HDA  4
HBD  2
Rotatable Bonds  2
TPSA  59.68
RO5 Violation  0