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PUBCHEM-ZINC06891820

 MMsINC code: MMs03892692
Type: Neutral
Formula: C8H14N2O4
SMILES:   O(CC)C(=O)N\C=C\NC(OCC)=O
InChI:   InChI=1/C8H14N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)/b6-5+

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Potential Energy
Epot(MMFF94)=-1.9333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.78306  SlogP: 0.9498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0101803  Sterimol/B1: 2.37515  Sterimol/B2: 2.37532  Sterimol/B3: 2.82759
  Sterimol/B4: 3.74935  Sterimol/L: 17.8971 
 
 Surface and Volume Properties
  Accessible surface: 457.505  Positive charged surface: 310.478  Negative charged surface: 147.027  Volume: 193.625
  Hydrophobic surface: 272.245  Hydrophilic surface: 185.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.