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


PUBCHEM-ZINC05964812

 MMsINC code: MMs03465189
Type: Ionized
Formula: C10H26N2+2
SMILES:   [NH2+](C(CC)(C)C)CC[NH2+]C(C)C
InChI:   InChI=1/C10H24N2/c1-6-10(4,5)12-8-7-11-9(2)3/h9,11-12H,6-8H2,1-5H3/p+2

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)=56.4853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.332 g/mol  logS: -0.91346  SlogP: -0.2898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769662  Sterimol/B1: 2.82608  Sterimol/B2: 3.14216  Sterimol/B3: 3.91316
  Sterimol/B4: 4.2954  Sterimol/L: 14.5562 
 
 Surface and Volume Properties
  Accessible surface: 454.045  Positive charged surface: 362.165  Negative charged surface: 91.8797  Volume: 220.625
  Hydrophobic surface: 319.841  Hydrophilic surface: 134.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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:  
   
Parent related molecule:


MMs03465188
PUBCHEM-ZINC05964812