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PUBCHEM-ZINC05518297

 MMsINC code: MMs03295466
Type: Neutral
Formula: C8H16N2O4
SMILES:   OC(C(O)CNC(=O)C)CNC(=O)C
InChI:   InChI=1/C8H16N2O4/c1-5(11)9-3-7(13)8(14)4-10-6(2)12/h7-8,13-14H,3-4H2,1-2H3,(H,9,11)(H,10,12)/t7-,8+

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Potential Energy
Epot(MMFF94)=27.1693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: 0.45468  SlogP: -2.0196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431225  Sterimol/B1: 2.8411  Sterimol/B2: 2.91643  Sterimol/B3: 3.07806
  Sterimol/B4: 3.62561  Sterimol/L: 15.6887 
 
 Surface and Volume Properties
  Accessible surface: 439.823  Positive charged surface: 298.732  Negative charged surface: 141.09  Volume: 193.125
  Hydrophobic surface: 251.743  Hydrophilic surface: 188.08
 
 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.