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PUBCHEM-ZINC00481836

 MMsINC code: MMs02690427
Type: Neutral
Formula: C8H14N2O4
SMILES:   O1NC(=O)C(NC(OC(C)(C)C)=O)C1
InChI:   InChI=1/C8H14N2O4/c1-8(2,3)14-7(12)9-5-4-13-10-6(5)11/h5H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=36.222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -1.39753  SlogP: -0.0589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113062  Sterimol/B1: 2.44133  Sterimol/B2: 3.0855  Sterimol/B3: 3.78004
  Sterimol/B4: 4.96451  Sterimol/L: 12.0046 
 
 Surface and Volume Properties
  Accessible surface: 407  Positive charged surface: 276.988  Negative charged surface: 130.012  Volume: 183.875
  Hydrophobic surface: 205.528  Hydrophilic surface: 201.472
 
 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.