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PUBCHEM-ZINC03631921

 MMsINC code: MMs03027915
Type: Neutral
Formula: C14H26N2O4
SMILES:   O(C(C)C)CC(=O)N1CCN(CC1)C(=O)COC(C)C
InChI:   InChI=1/C14H26N2O4/c1-11(2)19-9-13(17)15-5-7-16(8-6-15)14(18)10-20-12(3)4/h11-12H,5-10H2,1-4H3

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Potential Energy
Epot(MMFF94)=80.8635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -1.46666  SlogP: 0.5072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462049  Sterimol/B1: 2.34552  Sterimol/B2: 2.37866  Sterimol/B3: 4.60152
  Sterimol/B4: 6.52289  Sterimol/L: 17.9722 
 
 Surface and Volume Properties
  Accessible surface: 584.864  Positive charged surface: 435.738  Negative charged surface: 149.125  Volume: 293.125
  Hydrophobic surface: 413.823  Hydrophilic surface: 171.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.