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PUBCHEM-ZINC04203770

 MMsINC code: MMs03099781
Type: Neutral
Formula: C11H17NO5
SMILES:   O=C1CC(N(C1)C(OC(C)(C)C)=O)C(OC)=O
InChI:   InChI=1/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=48.0089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.259 g/mol  logS: -1.48585  SlogP: 0.7379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107868  Sterimol/B1: 2.63267  Sterimol/B2: 3.13233  Sterimol/B3: 4.06942
  Sterimol/B4: 7.40652  Sterimol/L: 12.863 
 
 Surface and Volume Properties
  Accessible surface: 469.352  Positive charged surface: 338.511  Negative charged surface: 130.842  Volume: 228.5
  Hydrophobic surface: 317.369  Hydrophilic surface: 151.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.