Drug Information

Drug ID:  NPD8869
Drug Name:  Tiopronin
Molecular Formula:  C5H9NO3S
Canonical SMILES:  CC(C(=NCC(=O)O)O)S
Standard InCHI:  InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
Standard InCHIKey:  YTGJWQPHMWSCST-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8869

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 0.907 NPC248970
High Similarity 0.907 NPC306238
Intermediate Similarity 0.8298 NPC319175
Intermediate Similarity 0.8095 NPC327250
Intermediate Similarity 0.75 NPC260324
Intermediate Similarity 0.7083 NPC297220
Remote Similarity 0.6964 NPC321419
Remote Similarity 0.6818 NPC69179
Remote Similarity 0.6735 NPC136476
Remote Similarity 0.6735 NPC49952
Remote Similarity 0.661 NPC289691
Remote Similarity 0.66 NPC204364
Remote Similarity 0.6596 NPC326808
Remote Similarity 0.6596 NPC254482
Remote Similarity 0.6596 NPC110533
Remote Similarity 0.6596 NPC317691
Remote Similarity 0.6538 NPC319110
Remote Similarity 0.6538 NPC329181
Remote Similarity 0.65 NPC325597
Remote Similarity 0.65 NPC174304
Remote Similarity 0.6471 NPC227850
Remote Similarity 0.64 NPC213876
Remote Similarity 0.64 NPC185755
Remote Similarity 0.6346 NPC170739
Remote Similarity 0.6346 NPC152451
Remote Similarity 0.6346 NPC328378
Remote Similarity 0.6346 NPC193989
Remote Similarity 0.6226 NPC327239
Remote Similarity 0.62 NPC191136
Remote Similarity 0.6182 NPC316889
Remote Similarity 0.6182 NPC321118
Remote Similarity 0.6111 NPC322946
Remote Similarity 0.6087 NPC25237
Remote Similarity 0.6071 NPC322573
Remote Similarity 0.6061 NPC315897
Remote Similarity 0.6 NPC263065
Remote Similarity 0.6 NPC329495
Remote Similarity 0.6 NPC189178
Remote Similarity 0.6 NPC317815
Remote Similarity 0.6 NPC43264
Remote Similarity 0.5965 NPC38463
Remote Similarity 0.5962 NPC282097
Remote Similarity 0.5938 NPC319046
Remote Similarity 0.5926 NPC114990
Remote Similarity 0.5926 NPC125736
Remote Similarity 0.5909 NPC14778
Remote Similarity 0.5854 NPC320704
Remote Similarity 0.5849 NPC153370
Remote Similarity 0.5846 NPC126779
Remote Similarity 0.5818 NPC19576
Remote Similarity 0.5818 NPC29950
Remote Similarity 0.5814 NPC16947
Remote Similarity 0.5789 NPC102815
Remote Similarity 0.5789 NPC327831
Remote Similarity 0.5769 NPC198196
Remote Similarity 0.5769 NPC228932
Remote Similarity 0.5714 NPC53449
Remote Similarity 0.5714 NPC168375
Remote Similarity 0.5714 NPC145077
Remote Similarity 0.5714 NPC326992
Remote Similarity 0.5714 NPC121517
Remote Similarity 0.5714 NPC235432
Remote Similarity 0.569 NPC325985
Remote Similarity 0.5686 NPC198301
Remote Similarity 0.5682 NPC59650
Remote Similarity 0.5667 NPC327748
Remote Similarity 0.5667 NPC321468
Remote Similarity 0.5667 NPC473599
Remote Similarity 0.5667 NPC317143
Remote Similarity 0.5667 NPC254541
Remote Similarity 0.5667 NPC325734
Remote Similarity 0.5667 NPC316826
Remote Similarity 0.566 NPC118187
Remote Similarity 0.5614 NPC145235

Drug Structure

External Identifiers

TTD   DNAP001473
DrugBank   DB06823
ChEMBL   CHEMBL1314
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D01430
PubChem CID   5483
ChEBI   32229
CAS Number  

Drug Properties

Molecular Weight  163.03
ALogP  -0.118
MLogP  1.46
XLogP  -0.399
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  108.69
RO5 Violation  0