Drug Information

Drug ID:  NPD8848
Drug Name:  Tidiacic
Molecular Formula:  C5H7NO4S
Canonical SMILES:  OC(=O)C1SCC(N1)C(=O)O
Standard InCHI:  InChI=1S/C5H7NO4S/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)
Standard InCHIKey:  DAXBISKSIDBYEU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8848

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 0.8421 NPC283786
Intermediate Similarity 0.7455 NPC204364
Intermediate Similarity 0.7368 NPC114990
Intermediate Similarity 0.7193 NPC170739
Intermediate Similarity 0.7193 NPC193989
Intermediate Similarity 0.7193 NPC152451
Intermediate Similarity 0.7 NPC145235
Remote Similarity 0.6964 NPC185755
Remote Similarity 0.6964 NPC213876
Remote Similarity 0.6909 NPC198301
Remote Similarity 0.6885 NPC102815
Remote Similarity 0.6852 NPC317691
Remote Similarity 0.6852 NPC326808
Remote Similarity 0.6852 NPC254482
Remote Similarity 0.6852 NPC110533
Remote Similarity 0.6833 NPC317815
Remote Similarity 0.6667 NPC228932
Remote Similarity 0.6667 NPC198196
Remote Similarity 0.6667 NPC136476
Remote Similarity 0.6667 NPC82239
Remote Similarity 0.6667 NPC49952
Remote Similarity 0.6562 NPC11433
Remote Similarity 0.6562 NPC245346
Remote Similarity 0.6562 NPC302003
Remote Similarity 0.6552 NPC118187
Remote Similarity 0.65 NPC125736
Remote Similarity 0.6441 NPC318523
Remote Similarity 0.6415 NPC216443
Remote Similarity 0.6393 NPC155156
Remote Similarity 0.6393 NPC200550
Remote Similarity 0.6364 NPC321419
Remote Similarity 0.623 NPC319175
Remote Similarity 0.5932 NPC191136
Remote Similarity 0.5926 NPC116709
Remote Similarity 0.5926 NPC21290
Remote Similarity 0.5926 NPC272614
Remote Similarity 0.5882 NPC177191
Remote Similarity 0.5843 NPC117829
Remote Similarity 0.5833 NPC78312
Remote Similarity 0.5833 NPC221764
Remote Similarity 0.5833 NPC248970
Remote Similarity 0.5833 NPC306238
Remote Similarity 0.5833 NPC135539
Remote Similarity 0.5833 NPC196359
Remote Similarity 0.5818 NPC63621
Remote Similarity 0.5789 NPC121517
Remote Similarity 0.5789 NPC168375
Remote Similarity 0.5789 NPC53449
Remote Similarity 0.5789 NPC326992
Remote Similarity 0.5741 NPC134570
Remote Similarity 0.5735 NPC64250
Remote Similarity 0.5735 NPC276928
Remote Similarity 0.5735 NPC268927
Remote Similarity 0.5676 NPC15864
Remote Similarity 0.5667 NPC208793
Remote Similarity 0.5667 NPC285322
Remote Similarity 0.5634 NPC289691

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  177.01
ALogP  -0.3173
MLogP  1.35
XLogP  -0.803
HDA  5
HBD  3
Rotatable Bonds  4
TPSA  111.93
RO5 Violation  0