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

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9 NPC95589
High Similarity 0.8621 NPC27675
Intermediate Similarity 0.8333 NPC270175
Intermediate Similarity 0.8333 NPC152949
Intermediate Similarity 0.8333 NPC193536
Intermediate Similarity 0.8235 NPC74599
Intermediate Similarity 0.8125 NPC320889
Intermediate Similarity 0.7297 NPC326791
Intermediate Similarity 0.7241 NPC119368
Intermediate Similarity 0.7179 NPC319114
Intermediate Similarity 0.7105 NPC240230
Remote Similarity 0.6923 NPC321202
Remote Similarity 0.6842 NPC473035
Remote Similarity 0.6667 NPC232311
Remote Similarity 0.6341 NPC15231
Remote Similarity 0.6286 NPC21157
Remote Similarity 0.625 NPC167301
Remote Similarity 0.6207 NPC309715
Remote Similarity 0.6053 NPC163099
Remote Similarity 0.6 NPC28081
Remote Similarity 0.6 NPC270319
Remote Similarity 0.6 NPC27869
Remote Similarity 0.6 NPC309330
Remote Similarity 0.6 NPC258096
Remote Similarity 0.5897 NPC203203
Remote Similarity 0.5714 NPC313882
Remote Similarity 0.5625 NPC306277
Remote Similarity 0.5625 NPC318947

Drug Structure

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