Drug Information

Drug ID:  NPD7381
Drug Name:  Cysteamine Hydrochloride
Molecular Formula:  C2H7NS.ClH
Canonical SMILES:  NCCS.Cl
Standard InCHI:  InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
Standard InCHIKey:  OGMADIBCHLQMIP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7381

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 1.0 NPC326253
Remote Similarity 0.6786 NPC322658
Remote Similarity 0.6552 NPC278821
Remote Similarity 0.6552 NPC300059
Remote Similarity 0.5833 NPC309715
Remote Similarity 0.56 NPC27869
Remote Similarity 0.56 NPC309330
Remote Similarity 0.56 NPC28081

Drug Structure

External Identifiers

TTD  
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ChEMBL  
IUPHAR/BPS  
PharmaGKB  
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PubChem CID  
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Drug Properties

Molecular Weight  77.03
ALogP  -0.2157
MLogP  1.46
XLogP  0.106
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  64.82
RO5 Violation  0