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PUBCHEM-ZINC01999356

 MMsINC code: MMs02841809
Type: Neutral
Formula: C14H30N2O2+2
SMILES:   O(C(=O)C1[N+](C)(C)C(CCC1)C)CC[N+](C)(C)C
InChI:   InChI=1/C14H30N2O2/c1-12-8-7-9-13(16(12,5)6)14(17)18-11-10-15(2,3)4/h12-13H,7-11H2,1-6H3/q+2/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=146.911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.406 g/mol  logS: -0.61509  SlogP: 1.2532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159122  Sterimol/B1: 2.34031  Sterimol/B2: 2.79866  Sterimol/B3: 5.04418
  Sterimol/B4: 5.49159  Sterimol/L: 13.8582 
 
 Surface and Volume Properties
  Accessible surface: 488.257  Positive charged surface: 438.177  Negative charged surface: 50.0804  Volume: 277.875
  Hydrophobic surface: 376.226  Hydrophilic surface: 112.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 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.