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PUBCHEM-ZINC06262885

 MMsINC code: MMs03645570
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(=O)C(NC(=O)NCCOC)CC(C)C)C
InChI:   InChI=1/C11H22N2O4/c1-8(2)7-9(10(14)17-4)13-11(15)12-5-6-16-3/h8-9H,5-7H2,1-4H3,(H2,12,13,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=21.4558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.71456  SlogP: 0.5197  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0865882  Sterimol/B1: 2.56407  Sterimol/B2: 2.70654  Sterimol/B3: 4.95621
  Sterimol/B4: 6.85548  Sterimol/L: 15.2629 
 
 Surface and Volume Properties
  Accessible surface: 521.512  Positive charged surface: 429.747  Negative charged surface: 91.7655  Volume: 246.875
  Hydrophobic surface: 387.07  Hydrophilic surface: 134.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.