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


NCID-ZINC04683927

 MMsINC code: MMs02393282
Type: Neutral
Formula: C11H19N6+
SMILES:   [nH+]1c2nc(nc(NCCCC)c2[nH]c1)N(C)C
InChI:   InChI=1/C11H18N6/c1-4-5-6-12-9-8-10(14-7-13-8)16-11(15-9)17(2)3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/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)=-7.32138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.315 g/mol  logS: -3.12862  SlogP: 1.05  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229864  Sterimol/B1: 2.37658  Sterimol/B2: 2.37695  Sterimol/B3: 5.22288
  Sterimol/B4: 6.60257  Sterimol/L: 13.9838 
 
 Surface and Volume Properties
  Accessible surface: 496.14  Positive charged surface: 449.755  Negative charged surface: 46.3849  Volume: 245.25
  Hydrophobic surface: 322.393  Hydrophilic surface: 173.747
 
 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


MMs02393283
NCID-ZINC04683927