Drug Information

Drug ID:  NPD9077
Drug Name:  Dichlorphenamide; Diclofenamide
Molecular Formula:  C6H6Cl2N2O4S2
Canonical SMILES:  Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N
Standard InCHI:  InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
Standard InCHIKey:  GJQPMPFPNINLKP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9077

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 0.7222 NPC67863
Intermediate Similarity 0.7021 NPC125549
Remote Similarity 0.6667 NPC134584
Remote Similarity 0.6105 NPC302129
Remote Similarity 0.6105 NPC35599
Remote Similarity 0.6047 NPC18259
Remote Similarity 0.6047 NPC119076
Remote Similarity 0.5859 NPC321053

Drug Structure

External Identifiers

TTD   DAP000601
DrugBank   DB01144
ChEMBL   CHEMBL17
IUPHAR/BPS   6807
PharmaGKB   PA164745512
KEGG Drug   D00518
PubChem CID   3038
ChEBI   101085
CAS Number  120-97-8

Drug Properties

Molecular Weight  303.91
ALogP  -0.3844
MLogP  1.02
XLogP  -0.844
HDA  6
HBD  2
Rotatable Bonds  6
TPSA  137.08
RO5 Violation  0