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PUBCHEM-ZINC05530951

 MMsINC code: MMs03299842
Type: Neutral
Formula: C14H24N2O4
SMILES:   OCCN(CCO)c1ccc(N(CCO)CCO)cc1
InChI:   InChI=1/C14H24N2O4/c17-9-5-15(6-10-18)13-1-2-14(4-3-13)16(7-11-19)8-12-20/h1-4,17-20H,5-12H2

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Potential Energy
Epot(MMFF94)=111.064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.356 g/mol  logS: -0.42954  SlogP: -0.7314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165106  Sterimol/B1: 2.97826  Sterimol/B2: 4.30758  Sterimol/B3: 4.30819
  Sterimol/B4: 5.38424  Sterimol/L: 12.8401 
 
 Surface and Volume Properties
  Accessible surface: 529.405  Positive charged surface: 445.947  Negative charged surface: 83.4573  Volume: 288.5
  Hydrophobic surface: 329.497  Hydrophilic surface: 199.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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.