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ACROSORGANICS-ZINC00895161

 MMsINC code: MMs00008141
Type: Neutral
Formula: C5H4N2O4
SMILES:   O=C1NC(=O)NC(=C1)C(O)=O
InChI:   InChI=1/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

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Potential Energy
Epot(MMFF94)=-24.7165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.097 g/mol  logS: -0.70769  SlogP: -1.2057  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.71667e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09798  Sterimol/B3: 2.48452
  Sterimol/B4: 5.39817  Sterimol/L: 9.53562 
 
 Surface and Volume Properties
  Accessible surface: 289.771  Positive charged surface: 151.064  Negative charged surface: 138.707  Volume: 117.625
  Hydrophobic surface: 39.9177  Hydrophilic surface: 249.8533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00008142
ACROSORGANICS-ZINC00895161