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ASINEX-ZINC04298804

 MMsINC code: MMs00323428
Type: Neutral
Formula: C13H24N2O4
SMILES:   O1CCN(CCOCCOCC1)C(=O)C1NCCC1
InChI:   InChI=1/C13H24N2O4/c16-13(12-2-1-3-14-12)15-4-6-17-8-10-19-11-9-18-7-5-15/h12,14H,1-11H2/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=122.56 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.345 g/mol  logS: -0.5532  SlogP: -0.3696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15817  Sterimol/B1: 3.74717  Sterimol/B2: 3.80948  Sterimol/B3: 4.89778
  Sterimol/B4: 5.07049  Sterimol/L: 13.5589 
 
 Surface and Volume Properties
  Accessible surface: 484.015  Positive charged surface: 418.678  Negative charged surface: 65.3369  Volume: 268.875
  Hydrophobic surface: 410.804  Hydrophilic surface: 73.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.