Drug Information

Drug ID:  NPD9217
Drug Name:  
Molecular Formula:  C7H14NO5P
Canonical SMILES:  OC(=O)[C@H]1NCC[C@H](C1)CP(=O)(O)O
Standard InCHI:  InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
Standard InCHIKey:  LPMRCCNDNGONCD-RITPCOANSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9217

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   DNC001319
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   68736
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  223.06
ALogP  -2.4048
MLogP  1.46
XLogP  -1.48
HDA  6
HBD  4
Rotatable Bonds  6
TPSA  116.67
RO5 Violation  0