Drug Information

Drug ID:  NPD9725
Drug Name:  Sulfathiazole
Molecular Formula:  C9H9N3O2S2
Canonical SMILES:  Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Standard InCHI:  InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
Standard InCHIKey:  JNMRHUJNCSQMMB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9725

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
Remote Similarity 0.6908 NPC287895
Remote Similarity 0.6444 NPC164228
Remote Similarity 0.6387 NPC69277
Remote Similarity 0.6387 NPC273714
Remote Similarity 0.6346 NPC151779
Remote Similarity 0.6278 NPC315715
Remote Similarity 0.6257 NPC314557
Remote Similarity 0.6159 NPC84268
Remote Similarity 0.6105 NPC216713
Remote Similarity 0.6105 NPC470823
Remote Similarity 0.6103 NPC315403
Remote Similarity 0.6038 NPC135488
Remote Similarity 0.6026 NPC473901
Remote Similarity 0.5987 NPC56856
Remote Similarity 0.5977 NPC161108
Remote Similarity 0.5966 NPC469897
Remote Similarity 0.5944 NPC475920
Remote Similarity 0.5939 NPC469308
Remote Similarity 0.593 NPC471957
Remote Similarity 0.5897 NPC11863
Remote Similarity 0.5814 NPC285731
Remote Similarity 0.5795 NPC200214
Remote Similarity 0.5789 NPC320863
Remote Similarity 0.5771 NPC148592
Remote Similarity 0.5741 NPC75999
Remote Similarity 0.5725 NPC43655
Remote Similarity 0.5714 NPC96102
Remote Similarity 0.5714 NPC27740
Remote Similarity 0.569 NPC143872
Remote Similarity 0.568 NPC84911
Remote Similarity 0.568 NPC105127
Remote Similarity 0.5663 NPC82295
Remote Similarity 0.5643 NPC107135
Remote Similarity 0.5638 NPC248454
Remote Similarity 0.5625 NPC282531
Remote Similarity 0.5621 NPC29886
Remote Similarity 0.5621 NPC261195
Remote Similarity 0.5614 NPC110126
Remote Similarity 0.5614 NPC73767
Remote Similarity 0.5607 NPC190296
Remote Similarity 0.5602 NPC282398

Drug Structure

External Identifiers

TTD  
DrugBank   DB06147
ChEMBL   CHEMBL437
IUPHAR/BPS  
PharmaGKB   PA165958356
KEGG Drug   D01047
PubChem CID  
ChEBI   9337
CAS Number  72-14-0

Drug Properties

Molecular Weight  255.01
ALogP  -1.0958
MLogP  1.68
XLogP  0.999
HDA  5
HBD  2
Rotatable Bonds  4
TPSA  121.7
RO5 Violation  0