Drug Information

Drug ID:  NPD9478
Drug Name:  Furazolidone
Molecular Formula:  C8H7N3O5
Canonical SMILES:  O=C1OCCN1N=Cc1ccc(o1)N(=O)=O
Standard InCHI:  InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2
Standard InCHIKey:  PLHJDBGFXBMTGZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9478

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 0.6509 NPC325857
Remote Similarity 0.6201 NPC320751
Remote Similarity 0.6183 NPC471648
Remote Similarity 0.6171 NPC471647
Remote Similarity 0.6171 NPC471646
Remote Similarity 0.6085 NPC286195
Remote Similarity 0.592 NPC471653
Remote Similarity 0.5902 NPC471649
Remote Similarity 0.5876 NPC288305
Remote Similarity 0.5851 NPC471652
Remote Similarity 0.5848 NPC208022
Remote Similarity 0.5814 NPC297584
Remote Similarity 0.5756 NPC220408
Remote Similarity 0.5752 NPC477589
Remote Similarity 0.5752 NPC477587
Remote Similarity 0.575 NPC45389
Remote Similarity 0.5733 NPC146316
Remote Similarity 0.573 NPC168750
Remote Similarity 0.5722 NPC315631
Remote Similarity 0.5714 NPC270301
Remote Similarity 0.5714 NPC196718
Remote Similarity 0.5714 NPC102593
Remote Similarity 0.5702 NPC477588
Remote Similarity 0.5702 NPC477585
Remote Similarity 0.5702 NPC477590
Remote Similarity 0.5702 NPC477586
Remote Similarity 0.5693 NPC469961
Remote Similarity 0.5684 NPC314861
Remote Similarity 0.5654 NPC471651
Remote Similarity 0.5649 NPC217226
Remote Similarity 0.5631 NPC112937
Remote Similarity 0.5617 NPC292036
Remote Similarity 0.56 NPC233791

Drug Structure

External Identifiers

TTD   DAP000993
DrugBank   DB00614
ChEMBL   CHEMBL1103
IUPHAR/BPS  
PharmaGKB   PA164746760
KEGG Drug   D00830
PubChem CID  
ChEBI   5195
CAS Number  67-45-8

Drug Properties

Molecular Weight  225.04
ALogP  0.411
MLogP  1.46
XLogP  1.535
HDA  4
HBD  0
Rotatable Bonds  4
TPSA  98.18
RO5 Violation  0