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NCID-ZINC01755675

 MMsINC code: MMs02364475
Type: Neutral
Formula: C12H26NO2+
SMILES:   O(C(=O)CC(C)(C)C)CCC[N+](C)(C)C
InChI:   InChI=1/C12H26NO2/c1-12(2,3)10-11(14)15-9-7-8-13(4,5)6/h7-10H2,1-6H3/q+1

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Potential Energy
Epot(MMFF94)=63.7094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.345 g/mol  logS: -1.72278  SlogP: 2.0621  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0669634  Sterimol/B1: 2.26708  Sterimol/B2: 2.37473  Sterimol/B3: 3.93666
  Sterimol/B4: 4.8745  Sterimol/L: 15.7355 
 
 Surface and Volume Properties
  Accessible surface: 486.34  Positive charged surface: 408.618  Negative charged surface: 77.7217  Volume: 246.625
  Hydrophobic surface: 356.672  Hydrophilic surface: 129.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.