Drug Information

Drug ID:  NPD9771
Drug Name:  Technetium Tc 99m Oxidronate
Molecular Formula:  CH6O7P2.Tc
Canonical SMILES:  OC(P(=O)(O)O)P(=O)(O)O.[100Tc]
Standard InCHI:  InChI=1S/CH6O7P2.Tc/c2-1(9(3,4)5)10(6,7)8;/h1-2H,(H2,3,4,5)(H2,6,7,8);/i;1+2
Standard InCHIKey:  SIJNDWFHVBDXDY-NLQOEHMXSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9771

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

Similarity Level Similarity Score Natural Product ID
Remote Similarity 0.6957 NPC314978
Remote Similarity 0.6842 NPC317825
Remote Similarity 0.6 NPC117466
Remote Similarity 0.6 NPC317545

Drug Structure

External Identifiers

TTD  
DrugBank   DB09139
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D06041
PubChem CID  
ChEBI  
CAS Number  72945-61-0

Drug Properties

Molecular Weight  191.96
ALogP  -0.5467
MLogP  0.58
XLogP  -4.232
HDA  7
HBD  5
Rotatable Bonds  7
TPSA  154.91
RO5 Violation  0