Drug Information

Drug ID:  NPD9571
Drug Name:  Moxonidine
Molecular Formula:  C9H12ClN5O
Canonical SMILES:  COc1nc(C)nc(c1NC1=NCCN1)Cl
Standard InCHI:  InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
Standard InCHIKey:  WPNJAUFVNXKLIM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9571

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
Remote Similarity 0.6276 NPC14330
Remote Similarity 0.6241 NPC139776
Remote Similarity 0.6233 NPC287876
Remote Similarity 0.6111 NPC248007
Remote Similarity 0.6084 NPC5707
Remote Similarity 0.604 NPC57279
Remote Similarity 0.5906 NPC246193
Remote Similarity 0.5852 NPC476564
Remote Similarity 0.58 NPC104011
Remote Similarity 0.5769 NPC317821
Remote Similarity 0.5746 NPC87981
Remote Similarity 0.5746 NPC174114
Remote Similarity 0.5735 NPC18335
Remote Similarity 0.5663 NPC52238
Remote Similarity 0.5652 NPC269827
Remote Similarity 0.5652 NPC309832
Remote Similarity 0.5643 NPC312187
Remote Similarity 0.5643 NPC4837
Remote Similarity 0.5629 NPC54320
Remote Similarity 0.5629 NPC313754
Remote Similarity 0.5629 NPC311197
Remote Similarity 0.5625 NPC68938
Remote Similarity 0.5605 NPC129756

Drug Structure

External Identifiers

TTD   DNC004144
DrugBank   DB09242
ChEMBL   CHEMBL19236
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D05087
PubChem CID   4810
ChEBI   7009
CAS Number  75438-57-2

Drug Properties

Molecular Weight  241.07
ALogP  -0.1373
MLogP  1.68
XLogP  0.946
HDA  5
HBD  2
Rotatable Bonds  6
TPSA  71.43
RO5 Violation  0