Drug Information

Drug ID:  NPD8545
Drug Name:  Fosfocreatine
Molecular Formula:  C4H10N3O5P
Canonical SMILES:  OC(=O)CN(C(=N)NP(=O)(O)O)C
Standard InCHI:  InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
Standard InCHIKey:  DRBBFCLWYRJSJZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8545

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  211.04
ALogP  -1.2373
MLogP  0.91
XLogP  -1.523
HDA  8
HBD  5
Rotatable Bonds  9
TPSA  143.76
RO5 Violation  0