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ASINEX-ZINC02472773

 MMsINC code: MMs00272157
Type: Neutral
Formula: C11H14N2O6
SMILES:   O=C1NC(=O)N(C=C1)C(C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C11H14N2O6/c1-3-18-9(15)8(10(16)19-4-2)13-6-5-7(14)12-11(13)17/h5-6,8H,3-4H2,1-2H3,(H,12,14,17)

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Potential Energy
Epot(MMFF94)=21.0508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.241 g/mol  logS: -1.77782  SlogP: -0.4533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11957  Sterimol/B1: 2.39068  Sterimol/B2: 3.67456  Sterimol/B3: 3.73891
  Sterimol/B4: 7.82578  Sterimol/L: 12.9849 
 
 Surface and Volume Properties
  Accessible surface: 481.825  Positive charged surface: 305.596  Negative charged surface: 176.229  Volume: 233.375
  Hydrophobic surface: 280.842  Hydrophilic surface: 200.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.