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PUBCHEM-ZINC02010879

 MMsINC code: MMs02849031
Type: Ionized
Formula: C12H30N2+2
SMILES:   [NH2+](CC(C)C)CCCC[NH2+]CC(C)C
InChI:   InChI=1/C12H28N2/c1-11(2)9-13-7-5-6-8-14-10-12(3)4/h11-14H,5-10H2,1-4H3/p+2

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Potential Energy
Epot(MMFF94)=18.6872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.386 g/mol  logS: -0.94068  SlogP: 0.2054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323127  Sterimol/B1: 2.35798  Sterimol/B2: 2.66942  Sterimol/B3: 3.76307
  Sterimol/B4: 4.06512  Sterimol/L: 18.4871 
 
 Surface and Volume Properties
  Accessible surface: 528.523  Positive charged surface: 450.801  Negative charged surface: 77.7213  Volume: 254.375
  Hydrophobic surface: 407.096  Hydrophilic surface: 121.427
 
 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
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Parent related molecule:


MMs02849030
PUBCHEM-ZINC02010879