Drug Information

Drug ID:  NPD7384
Drug Name:  Etidronate Disodium
Molecular Formula:  C2H8O7P2.2Na
Canonical SMILES:  CC(P(=O)(O)O)(P(=O)([O-])[O-])O.[Na+].[Na+]
Standard InCHI:  InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
Standard InCHIKey:  GWBBVOVXJZATQQ-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7384

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
Intermediate Similarity 0.75 NPC314978
Remote Similarity 0.6538 NPC317545
Remote Similarity 0.6207 NPC306022
Remote Similarity 0.5909 NPC317825

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PharmaGKB  
KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  203.96
ALogP  -2.1574
MLogP  0.69
XLogP  -3.815
HDA  7
HBD  3
Rotatable Bonds  8
TPSA  160.57
RO5 Violation  0