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


NCID-ZINC04367295

 MMsINC code: MMs02384503
Type: Neutral
Formula: C5H7N6+
SMILES:   [nH+]1c2ncnc(N)c2[nH]c1N
InChI:   InChI=1/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11)/p+1

Download   format file 
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)=-39.1832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.153 g/mol  logS: -1.80231  SlogP: -1.0636  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.78255e-08  Sterimol/B1: 2.09704  Sterimol/B2: 2.09767  Sterimol/B3: 2.3019
  Sterimol/B4: 5.73116  Sterimol/L: 9.66505 
 
 Surface and Volume Properties
  Accessible surface: 316.417  Positive charged surface: 257.684  Negative charged surface: 58.7338  Volume: 132.75
  Hydrophobic surface: 22.6072  Hydrophilic surface: 293.8098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 4
  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


MMs02384504
NCID-ZINC04367295