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PUBCHEM-ZINC01851748

 MMsINC code: MMs02825998
Type: Neutral
Formula: C12H28N2O2+2
SMILES:   O(C(=O)CC([N+](C)(C)C)C)CC[N+](C)(C)C
InChI:   InChI=1/C12H28N2O2/c1-11(14(5,6)7)10-12(15)16-9-8-13(2,3)4/h11H,8-10H2,1-7H3/q+2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=99.0246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.368 g/mol  logS: 0.25714  SlogP: 0.7206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0835048  Sterimol/B1: 2.18784  Sterimol/B2: 3.24424  Sterimol/B3: 3.55762
  Sterimol/B4: 5.85262  Sterimol/L: 14.5297 
 
 Surface and Volume Properties
  Accessible surface: 481.542  Positive charged surface: 445.069  Negative charged surface: 36.4731  Volume: 257.625
  Hydrophobic surface: 337.591  Hydrophilic surface: 143.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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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Ions/Tautomers related molecules: no related molecules available.