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PUBCHEM-ZINC01999360

 MMsINC code: MMs02841811
Type: Neutral
Formula: C12H26N2O2+2
SMILES:   O(C(=O)C1[N+](CCC1)(C)C)CC[N+](C)(C)C
InChI:   InChI=1/C12H26N2O2/c1-13(2,3)9-10-16-12(15)11-7-6-8-14(11,4)5/h11H,6-10H2,1-5H3/q+2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=120.48 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.352 g/mol  logS: -0.08611  SlogP: 0.4746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128428  Sterimol/B1: 2.07259  Sterimol/B2: 3.01891  Sterimol/B3: 4.95985
  Sterimol/B4: 5.1298  Sterimol/L: 13.3657 
 
 Surface and Volume Properties
  Accessible surface: 464.145  Positive charged surface: 433.353  Negative charged surface: 30.7922  Volume: 249.625
  Hydrophobic surface: 359.155  Hydrophilic surface: 104.99
 
 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.