Drug Information

Drug ID:  NPD9108
Drug Name:  Sulfanilamide
Molecular Formula:  C6H8N2O2S
Canonical SMILES:  Nc1ccc(cc1)S(=O)(=O)N
Standard InCHI:  InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Standard InCHIKey:  FDDDEECHVMSUSB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9108

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 NPC315403
High Similarity 0.9294 NPC43655
High Similarity 0.908 NPC107135
Intermediate Similarity 0.7882 NPC301874
Intermediate Similarity 0.7831 NPC271732
Intermediate Similarity 0.7386 NPC35599
Intermediate Similarity 0.7368 NPC297532
Intermediate Similarity 0.7356 NPC66775
Intermediate Similarity 0.7273 NPC218710
Intermediate Similarity 0.7021 NPC134825
Remote Similarity 0.6907 NPC262295
Remote Similarity 0.6875 NPC229477
Remote Similarity 0.6869 NPC92689
Remote Similarity 0.6809 NPC307456
Remote Similarity 0.6768 NPC173991
Remote Similarity 0.6729 NPC328877
Remote Similarity 0.67 NPC191444
Remote Similarity 0.6667 NPC111233
Remote Similarity 0.6667 NPC15839
Remote Similarity 0.6667 NPC30445
Remote Similarity 0.6639 NPC321053
Remote Similarity 0.66 NPC176858
Remote Similarity 0.6452 NPC302129
Remote Similarity 0.6436 NPC240134
Remote Similarity 0.6408 NPC108800
Remote Similarity 0.6346 NPC476483
Remote Similarity 0.624 NPC328590
Remote Similarity 0.6216 NPC313362
Remote Similarity 0.6214 NPC78154
Remote Similarity 0.6182 NPC474430
Remote Similarity 0.6111 NPC317642
Remote Similarity 0.6075 NPC317400
Remote Similarity 0.6055 NPC316435
Remote Similarity 0.6 NPC70201
Remote Similarity 0.5965 NPC37584
Remote Similarity 0.5926 NPC473429
Remote Similarity 0.5914 NPC219246
Remote Similarity 0.5909 NPC75496
Remote Similarity 0.5893 NPC311660
Remote Similarity 0.5876 NPC325662
Remote Similarity 0.5876 NPC98269
Remote Similarity 0.5868 NPC31651
Remote Similarity 0.5856 NPC326792
Remote Similarity 0.5841 NPC256838
Remote Similarity 0.5841 NPC38262
Remote Similarity 0.5826 NPC172170
Remote Similarity 0.5776 NPC302790
Remote Similarity 0.5766 NPC323726
Remote Similarity 0.5747 NPC469807
Remote Similarity 0.5739 NPC24060
Remote Similarity 0.569 NPC434
Remote Similarity 0.569 NPC79618
Remote Similarity 0.5686 NPC119677
Remote Similarity 0.5678 NPC226914
Remote Similarity 0.5664 NPC291610
Remote Similarity 0.5652 NPC313810
Remote Similarity 0.562 NPC205652
Remote Similarity 0.562 NPC470550

Drug Structure

External Identifiers

TTD   DNC001391
DrugBank   DB00259
ChEMBL   CHEMBL21
IUPHAR/BPS  
PharmaGKB   PA451545
KEGG Drug  
PubChem CID   5333
ChEBI   45373
CAS Number  63-74-1

Drug Properties

Molecular Weight  172.03
ALogP  -1.6864
MLogP  1.57
XLogP  -0.15
HDA  4
HBD  2
Rotatable Bonds  3
TPSA  94.56
RO5 Violation  0