Drug Information

Drug ID:  NPD1459
Drug Name:  Suxamethonium
Molecular Formula:  C14H30N2O4
Canonical SMILES:  O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C
Standard InCHI:  InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
Standard InCHIKey:  AXOIZCJOOAYSMI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1459

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 0.7674 NPC1591
Intermediate Similarity 0.75 NPC35816
Intermediate Similarity 0.75 NPC325180
Remote Similarity 0.6977 NPC108238
Remote Similarity 0.6279 NPC180423
Remote Similarity 0.617 NPC229838
Remote Similarity 0.6154 NPC10716
Remote Similarity 0.6094 NPC326651
Remote Similarity 0.6094 NPC325117
Remote Similarity 0.6094 NPC322319
Remote Similarity 0.6061 NPC212866
Remote Similarity 0.6061 NPC29598
Remote Similarity 0.6 NPC12904
Remote Similarity 0.6 NPC59650
Remote Similarity 0.5902 NPC473599
Remote Similarity 0.5893 NPC27359
Remote Similarity 0.5893 NPC198398
Remote Similarity 0.5893 NPC295832
Remote Similarity 0.587 NPC168714
Remote Similarity 0.587 NPC35371
Remote Similarity 0.587 NPC41007
Remote Similarity 0.587 NPC286695
Remote Similarity 0.587 NPC178643
Remote Similarity 0.5818 NPC227850
Remote Similarity 0.5814 NPC143211
Remote Similarity 0.5745 NPC154396
Remote Similarity 0.5714 NPC178919
Remote Similarity 0.5714 NPC477644
Remote Similarity 0.5714 NPC263281
Remote Similarity 0.566 NPC43264
Remote Similarity 0.5636 NPC136159

Drug Structure

External Identifiers

TTD   DAP001132
DrugBank   DB00202
ChEMBL   CHEMBL703
IUPHAR/BPS   4004
PharmaGKB   PA451522
KEGG Drug  
PubChem CID   5314
ChEBI   45652
CAS Number  306-40-1

Drug Properties

Molecular Weight  290.22
ALogP  -2.3402
MLogP  2.34
XLogP  -0.744
HDA  4
HBD  0
Rotatable Bonds  17
TPSA  52.6
RO5 Violation  1