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OAKWOOD-ZINC02527484

 MMsINC code: MMs02544347
Type: Neutral
Formula: C11H20N2O4
SMILES:   O(C(C)(C)C)C(=O)N1CCNCC1C(OC)=O
InChI:   InChI=1/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=81.6163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -1.03952  SlogP: 0.3683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135725  Sterimol/B1: 2.50622  Sterimol/B2: 4.58175  Sterimol/B3: 5.28034
  Sterimol/B4: 6.08419  Sterimol/L: 11.8388 
 
 Surface and Volume Properties
  Accessible surface: 467.464  Positive charged surface: 379.424  Negative charged surface: 88.0396  Volume: 237.875
  Hydrophobic surface: 348.107  Hydrophilic surface: 119.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.