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PUBCHEM-ZINC01442829

 MMsINC code: MMs02806123
Type: Neutral
Formula: C10H17NO4
SMILES:   O1CCN(CC1C=O)C(OC(C)(C)C)=O
InChI:   InChI=1/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h7-8H,4-6H2,1-3H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=47.0255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -1.0396  SlogP: 0.8212  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112612  Sterimol/B1: 2.43631  Sterimol/B2: 2.7808  Sterimol/B3: 4.75761
  Sterimol/B4: 5.37443  Sterimol/L: 13.3458 
 
 Surface and Volume Properties
  Accessible surface: 433.664  Positive charged surface: 324.163  Negative charged surface: 109.502  Volume: 208.5
  Hydrophobic surface: 291.822  Hydrophilic surface: 141.842
 
 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.