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PUBCHEM-ZINC06186789

 MMsINC code: MMs03587877
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)NCCCOC
InChI:   InChI=1/C11H22N2O4/c1-11(2,3)17-10(15)13-8-9(14)12-6-5-7-16-4/h5-8H2,1-4H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=25.5312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.33854  SlogP: 0.6638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279775  Sterimol/B1: 2.33791  Sterimol/B2: 2.37474  Sterimol/B3: 4.07843
  Sterimol/B4: 4.87449  Sterimol/L: 19.1739 
 
 Surface and Volume Properties
  Accessible surface: 533.508  Positive charged surface: 419.66  Negative charged surface: 113.847  Volume: 248.625
  Hydrophobic surface: 367.93  Hydrophilic surface: 165.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.