Drug Information

Drug ID:  NPD419
Drug Name:  Furazidin
Molecular Formula:  C10H8N4O5
Canonical SMILES:  OC1=NC(=O)N(C1)/N=C/C=C/c1ccc(o1)N(=O)=O
Standard InCHI:  InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+
Standard InCHIKey:  DECBQELQORZLLP-UAIOPKHMSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD419

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 0.6497 NPC320751
Remote Similarity 0.6149 NPC325857
Remote Similarity 0.6032 NPC471648
Remote Similarity 0.6023 NPC297584
Remote Similarity 0.6011 NPC471646
Remote Similarity 0.6011 NPC471647
Remote Similarity 0.5872 NPC208022
Remote Similarity 0.5773 NPC286195
Remote Similarity 0.5763 NPC471653
Remote Similarity 0.5753 NPC471649
Remote Similarity 0.5744 NPC315631
Remote Similarity 0.5736 NPC270301
Remote Similarity 0.5736 NPC288305
Remote Similarity 0.5707 NPC471652
Remote Similarity 0.5679 NPC264782
Remote Similarity 0.5668 NPC315257
Remote Similarity 0.5657 NPC28368
Remote Similarity 0.5629 NPC233791
Remote Similarity 0.5616 NPC45389
Remote Similarity 0.5607 NPC471561

Drug Structure

External Identifiers

TTD  
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ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
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Drug Properties

Molecular Weight  264.05
ALogP  -0.2131
MLogP  1.57
XLogP  1.153
HDA  5
HBD  1
Rotatable Bonds  6
TPSA  121.54
RO5 Violation  0