Drug Information

Drug ID:  NPD9720
Drug Name:  Clonidine
Molecular Formula:  C9H9Cl2N3
Canonical SMILES:  Clc1cccc(c1NC1=NCCN1)Cl
Standard InCHI:  InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
Standard InCHIKey:  GJSURZIOUXUGAL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9720

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 0.8 NPC125416
Intermediate Similarity 0.7155 NPC317642
Remote Similarity 0.6777 NPC474430
Remote Similarity 0.6667 NPC134825
Remote Similarity 0.6466 NPC240134
Remote Similarity 0.6449 NPC469949
Remote Similarity 0.627 NPC313362
Remote Similarity 0.6261 NPC229477
Remote Similarity 0.626 NPC314141
Remote Similarity 0.6129 NPC316435
Remote Similarity 0.6116 NPC7067
Remote Similarity 0.6056 NPC321053
Remote Similarity 0.6045 NPC288232
Remote Similarity 0.5882 NPC313673
Remote Similarity 0.5878 NPC164802
Remote Similarity 0.5839 NPC216159
Remote Similarity 0.5827 NPC326792
Remote Similarity 0.5806 NPC108339
Remote Similarity 0.5804 NPC301874
Remote Similarity 0.5802 NPC20322
Remote Similarity 0.5778 NPC296163
Remote Similarity 0.5764 NPC145754
Remote Similarity 0.576 NPC471320
Remote Similarity 0.576 NPC471319
Remote Similarity 0.5758 NPC77294
Remote Similarity 0.5727 NPC271732
Remote Similarity 0.5726 NPC469330
Remote Similarity 0.5702 NPC297532
Remote Similarity 0.5694 NPC252794
Remote Similarity 0.5674 NPC475915
Remote Similarity 0.5667 NPC325599
Remote Similarity 0.5662 NPC187036
Remote Similarity 0.5652 NPC115049
Remote Similarity 0.5649 NPC313810
Remote Similarity 0.5641 NPC204141
Remote Similarity 0.5613 NPC42483
Remote Similarity 0.5612 NPC192209
Remote Similarity 0.5608 NPC476687
Remote Similarity 0.5608 NPC476689
Remote Similarity 0.5608 NPC476685
Remote Similarity 0.56 NPC322040

Drug Structure

External Identifiers

TTD   DAP000231
DrugBank   DB00575
ChEMBL   CHEMBL134
IUPHAR/BPS   516
PharmaGKB   PA449051
KEGG Drug   D00281
PubChem CID   2803
ChEBI   46632
CAS Number  4205-90-7

Drug Properties

Molecular Weight  229.02
ALogP  0.8181
MLogP  1.9
XLogP  2.396
HDA  3
HBD  2
Rotatable Bonds  4
TPSA  36.42
RO5 Violation  0