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PUBCHEM-ZINC05518386

 MMsINC code: MMs03295483
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-/m1/s1

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Potential Energy
Epot(MMFF94)=27.3816 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: 0.0455859  Sterimol/B1: 2.4379  Sterimol/B2: 3.19547  Sterimol/B3: 3.44218
  Sterimol/B4: 3.71507  Sterimol/L: 15.6782 
 
 Surface and Volume Properties
  Accessible surface: 433.723  Positive charged surface: 293.398  Negative charged surface: 140.325  Volume: 193.75
  Hydrophobic surface: 256.721  Hydrophilic surface: 177.002
 
 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.