logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01641533

MMsINC code: MMs02283524

Type: Neutral
Formula: C7H10N5+
SMILES:   [nH+]1c2ncncc2[nH]c1N(C)C
InChI:   InChI=1/C7H9N5/c1-12(2)7-10-5-3-8-4-9-6(5)11-7/h3-4H,1-2H3,(H,8,9,10,11)/p+1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  

This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=-5.30401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.192 g/mol  logS: -1.9767  SlogP: -0.162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228103  Sterimol/B1: 2.36324  Sterimol/B2: 2.36942  Sterimol/B3: 2.68626
  Sterimol/B4: 4.62627  Sterimol/L: 11.3621 
 
 Surface and Volume Properties
  Accessible surface: 349.042  Positive charged surface: 307.016  Negative charged surface: 42.0262  Volume: 156.875
  Hydrophobic surface: 188.034  Hydrophilic surface: 161.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 3
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02283525
NCID-ZINC01641533