Drug Information

Drug ID:  NPD234
Drug Name:  Chlorpropamide
Molecular Formula:  C10H13ClN2O3S
Canonical SMILES:  CCCN=C(NS(=O)(=O)c1ccc(cc1)Cl)O
Standard InCHI:  InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
Standard InCHIKey:  RKWGIWYCVPQPMF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD234

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 0.78 NPC317400
Intermediate Similarity 0.7283 NPC35599
Intermediate Similarity 0.7128 NPC67863
Remote Similarity 0.6939 NPC125549
Remote Similarity 0.6224 NPC302129
Remote Similarity 0.5926 NPC315403
Remote Similarity 0.584 NPC476440
Remote Similarity 0.5821 NPC194857
Remote Similarity 0.5821 NPC32858
Remote Similarity 0.5752 NPC471320
Remote Similarity 0.5752 NPC471319
Remote Similarity 0.5726 NPC471310
Remote Similarity 0.5714 NPC321053
Remote Similarity 0.5664 NPC108339
Remote Similarity 0.5652 NPC18259
Remote Similarity 0.5652 NPC119076
Remote Similarity 0.5649 NPC208280
Remote Similarity 0.563 NPC474559

Drug Structure

External Identifiers

TTD   DAP000923
DrugBank   DB00672
ChEMBL   CHEMBL498
IUPHAR/BPS   6801
PharmaGKB   PA448966
KEGG Drug   D00271
PubChem CID   2727
ChEBI   3650
CAS Number  94-20-2

Drug Properties

Molecular Weight  276.03
ALogP  -0.2047
MLogP  1.79
XLogP  2.353
HDA  5
HBD  2
Rotatable Bonds  8
TPSA  87.14
RO5 Violation  0