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NCID-ZINC01665464

 MMsINC code: MMs02301622
Type: Neutral
Formula: C14H30N2O4+2
SMILES:   OC(=O)C[N+](CCCCCC[N+](CC(O)=O)(C)C)(C)C
InChI:   InChI=1/C14H28N2O4/c1-15(2,11-13(17)18)9-7-5-6-8-10-16(3,4)12-14(19)20/h5-12H2,1-4H3/p+2

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Potential Energy
Epot(MMFF94)=138.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.404 g/mol  logS: 0.07568  SlogP: 0.8688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441889  Sterimol/B1: 2.25848  Sterimol/B2: 2.37105  Sterimol/B3: 3.93714
  Sterimol/B4: 4.76952  Sterimol/L: 20.0736 
 
 Surface and Volume Properties
  Accessible surface: 563.214  Positive charged surface: 479.154  Negative charged surface: 84.0602  Volume: 297.875
  Hydrophobic surface: 316.563  Hydrophilic surface: 246.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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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Ions/Tautomers related molecules: no related molecules available.