Drug Information

Drug ID:  NPD8222
Drug Name:  Noxytiolin
Molecular Formula:  C3H8N2OS
Canonical SMILES:  CN=C(NCO)S
Standard InCHI:  InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)
Standard InCHIKey:  JLMHZVYLAQPMOZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8222

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 0.7812 NPC73371

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
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PubChem CID  
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CAS Number  

Drug Properties

Molecular Weight  120.04
ALogP  -0.136
MLogP  1.35
XLogP  -0.074
HDA  3
HBD  2
Rotatable Bonds  5
TPSA  83.42
RO5 Violation  0