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NCID-ZINC04404548

 MMsINC code: MMs02385275
Type: Ionized
Formula: C14H32N2O3+2
SMILES:   O(C(=O)COCC[NH+](CC)CC)CC[NH+](CC)CC
InChI:   InChI=1/C14H30N2O3/c1-5-15(6-2)9-11-18-13-14(17)19-12-10-16(7-3)8-4/h5-13H2,1-4H3/p+2

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Potential Energy
Epot(MMFF94)=46.0321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.421 g/mol  logS: -1.19719  SlogP: -1.6044  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0863032  Sterimol/B1: 2.89996  Sterimol/B2: 3.50541  Sterimol/B3: 4.71244
  Sterimol/B4: 5.34487  Sterimol/L: 16.1325 
 
 Surface and Volume Properties
  Accessible surface: 610.977  Positive charged surface: 503.959  Negative charged surface: 107.018  Volume: 314.375
  Hydrophobic surface: 452.631  Hydrophilic surface: 158.346
 
 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:


MMs02385274
NCID-ZINC04404548