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ENAMINE-ZINC03388361

 MMsINC code: MMs01412098
Type: Neutral
Formula: C14H32Br2N2+2
SMILES:   BrCC[N+](CCCCCC[N+](CCBr)(C)C)(C)C
InChI:   InChI=1/C14H32Br2N2/c1-17(2,13-9-15)11-7-5-6-8-12-18(3,4)14-10-16/h5-14H2,1-4H3/q+2

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Potential Energy
Epot(MMFF94)=109.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.232 g/mol  logS: -2.1197  SlogP: 3.4894  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0490618  Sterimol/B1: 2.37613  Sterimol/B2: 2.73325  Sterimol/B3: 4.46707
  Sterimol/B4: 4.77382  Sterimol/L: 20.8958 
 
 Surface and Volume Properties
  Accessible surface: 617.542  Positive charged surface: 414.243  Negative charged surface: 203.298  Volume: 340.375
  Hydrophobic surface: 351.995  Hydrophilic surface: 265.547
 
 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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Ions/Tautomers related molecules: no related molecules available.