Drug Information

Drug ID:  NPD1156
Drug Name:  
Molecular Formula:  C13H32N4
Canonical SMILES:  CCNCCCNCCCNCCCNCC
Standard InCHI:  InChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3
Standard InCHIKey:  UMJJGDUYVQCBMC-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1156

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

Drug Structure

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External Identifiers

TTD   DIB008858
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4282
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  244.26
ALogP  -1.7706
MLogP  2.45
XLogP  0.586
HDA  4
HBD  4
Rotatable Bonds  16
TPSA  48.12
RO5 Violation  1