Drug Information

Drug ID:  NPD8228
Drug Name:  Aurotioprol
Molecular Formula:  C3H8O4S2.Au.Na
Canonical SMILES:  [S-]CC(CS(=O)(=O)[O-])O.[Na+].[Au+]
Standard InCHI:  InChI=1S/C3H8O4S2.Au.Na/c4-3(1-8)2-9(5,6)7;;/h3-4,8H,1-2H2,(H,5,6,7);;/q;2*+1/p-2
Standard InCHIKey:  KBWWFTIQBJUOQR-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8228

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
High Similarity 0.871 NPC202651
Remote Similarity 0.6571 NPC317060
Remote Similarity 0.6 NPC85721

Drug Structure

External Identifiers

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PubChem CID  
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Drug Properties

Molecular Weight  169.97
ALogP  -1.7068
MLogP  1.13
XLogP  -1.469
HDA  4
HBD  1
Rotatable Bonds  6
TPSA  85.81
RO5 Violation  0