Drug Information

Drug ID:  NPD9543
Drug Name:  Sulfamethizole
Molecular Formula:  C9H10N4O2S2
Canonical SMILES:  Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C
Standard InCHI:  InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
Standard InCHIKey:  VACCAVUAMIDAGB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9543

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 0.7345 NPC315403
Remote Similarity 0.687 NPC43655
Remote Similarity 0.6752 NPC107135
Remote Similarity 0.6417 NPC92689
Remote Similarity 0.6025 NPC316910
Remote Similarity 0.5984 NPC297532
Remote Similarity 0.5865 NPC24060
Remote Similarity 0.5827 NPC218710
Remote Similarity 0.5826 NPC301874
Remote Similarity 0.5798 NPC307456
Remote Similarity 0.5776 NPC35599
Remote Similarity 0.5752 NPC271732
Remote Similarity 0.5739 NPC66775
Remote Similarity 0.5714 NPC273714
Remote Similarity 0.5714 NPC328877
Remote Similarity 0.5702 NPC15839
Remote Similarity 0.5608 NPC69277
Remote Similarity 0.5607 NPC315715

Drug Structure

External Identifiers

TTD   DAP001202
DrugBank   DB00576
ChEMBL   CHEMBL1191
IUPHAR/BPS  
PharmaGKB   PA164781307
KEGG Drug   D00870
PubChem CID   5328
ChEBI   9331
CAS Number  144-82-1

Drug Properties

Molecular Weight  270.02
ALogP  -1.0445
MLogP  1.57
XLogP  1.03
HDA  6
HBD  2
Rotatable Bonds  5
TPSA  134.59
RO5 Violation  0