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PUBCHEM-ZINC05190051

 MMsINC code: MMs03222081
Type: Ionized
Formula: C11H26N2+2
SMILES:   [NH2+]1CCCCCC1CCCCC[NH3+]
InChI:   InChI=1/C11H24N2/c12-9-5-1-3-7-11-8-4-2-6-10-13-11/h11,13H,1-10,12H2/p+2/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=19.4648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -0.76306  SlogP: 0.2947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520989  Sterimol/B1: 2.93055  Sterimol/B2: 3.10299  Sterimol/B3: 3.80239
  Sterimol/B4: 4.03206  Sterimol/L: 15.3067 
 
 Surface and Volume Properties
  Accessible surface: 458.503  Positive charged surface: 420.986  Negative charged surface: 37.5172  Volume: 224.125
  Hydrophobic surface: 349.797  Hydrophilic surface: 108.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs03222080
PUBCHEM-ZINC05190051