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


ASINEX-ZINC05003484

 MMsINC code: MMs00432983
Type: Neutral
Formula: C6H20N10+4
SMILES:   [NH2+]=C(NCCNC(=[NH2+])NC(=[NH2+])N)NC(=[NH2+])N
InChI:   InChI=1/C6H16N10/c7-3(8)15-5(11)13-1-2-14-6(12)16-4(9)10/h1-2H2,(H6,7,8,11,13,15)(H6,9,10,12,14,16)/p+4

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)=-212.379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.296 g/mol  logS: -0.99264  SlogP: -10.2774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356568  Sterimol/B1: 2.87446  Sterimol/B2: 2.98392  Sterimol/B3: 3.33225
  Sterimol/B4: 4.61579  Sterimol/L: 16.1443 
 
 Surface and Volume Properties
  Accessible surface: 490.18  Positive charged surface: 434.813  Negative charged surface: 55.3664  Volume: 221.125
  Hydrophobic surface: 58.5434  Hydrophilic surface: 431.6366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 10
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00432985
ASINEX-ZINC05003484


MMs00432984
ASINEX-ZINC05003484