Drug Information

Drug ID:  NPD9473
Drug Name:  Nitrofurantoin Sodium
Molecular Formula:  C8H6N4O5.Na
Canonical SMILES:  O=C1N=C(CN1/N=C/c1ccc(o1)N(=O)=O)[O-].[Na+]
Standard InCHI:  InChI=1S/C8H6N4O5.Na/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;/h1-3H,4H2,(H,10,13,14);/q;+1/p-1/b9-3+;
Standard InCHIKey:  AFDJQFFKYDCYIG-JSGFVSQVSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9473

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 0.6404 NPC320751
Remote Similarity 0.5966 NPC325857
Remote Similarity 0.5947 NPC471648
Remote Similarity 0.5922 NPC471647
Remote Similarity 0.5922 NPC471646
Remote Similarity 0.5872 NPC208022
Remote Similarity 0.5855 NPC286195
Remote Similarity 0.5838 NPC297584
Remote Similarity 0.5674 NPC471653
Remote Similarity 0.5668 NPC471649
Remote Similarity 0.5657 NPC288305
Remote Similarity 0.5625 NPC471652

Drug Structure

External Identifiers

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

Molecular Weight  237.03
ALogP  -1.252
MLogP  1.35
XLogP  0.881
HDA  5
HBD  0
Rotatable Bonds  5
TPSA  124.37
RO5 Violation  0