Drug Information

Drug ID:  NPD7382
Drug Name:  Cysteamine
Molecular Formula:  C2H7NS
Canonical SMILES:  NCCS
Standard InCHI:  InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
Standard InCHIKey:  UFULAYFCSOUIOV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD7382

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   DAP001297
DrugBank   DB00847
ChEMBL   CHEMBL602
IUPHAR/BPS   7440
PharmaGKB   PA449171
KEGG Drug   D03634
PubChem CID   6058
ChEBI   17141
CAS Number  60-23-1

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