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PUBCHEM-ZINC05383634

 MMsINC code: MMs03253656
Type: Neutral
Formula: C12H24N2O4
SMILES:   OC(C(O)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C
InChI:   InChI=1/C12H24N2O4/c1-11(2,3)13-9(17)7(15)8(16)10(18)14-12(4,5)6/h7-8,15-16H,1-6H3,(H,13,17)(H,14,18)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=71.2952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.49386  SlogP: -0.4624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.092901  Sterimol/B1: 2.57693  Sterimol/B2: 2.97769  Sterimol/B3: 4.32399
  Sterimol/B4: 4.83937  Sterimol/L: 14.2268 
 
 Surface and Volume Properties
  Accessible surface: 499.982  Positive charged surface: 341.347  Negative charged surface: 158.635  Volume: 261
  Hydrophobic surface: 282.471  Hydrophilic surface: 217.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.