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PUBCHEM-ZINC02582059

 MMsINC code: MMs02904142
Type: Ionized
Formula: C11H28N2O2+2
SMILES:   O(CC(COCCC[NH3+])(C)C)CCC[NH3+]
InChI:   InChI=1/C11H26N2O2/c1-11(2,9-14-7-3-5-12)10-15-8-4-6-13/h3-10,12-13H2,1-2H3/p+2

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Potential Energy
Epot(MMFF94)=21.8251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.357 g/mol  logS: -0.21861  SlogP: -0.6902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374584  Sterimol/B1: 2.13464  Sterimol/B2: 2.40368  Sterimol/B3: 3.94268
  Sterimol/B4: 4.8988  Sterimol/L: 18.929 
 
 Surface and Volume Properties
  Accessible surface: 539.334  Positive charged surface: 498.407  Negative charged surface: 40.9269  Volume: 252.125
  Hydrophobic surface: 343.717  Hydrophilic surface: 195.617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs02904141
PUBCHEM-ZINC02582059