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ACROSORGANICS-ZINC00895161

 MMsINC code: MMs00008142
Type: Ionized
Formula: C5H3N2O4-
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)/p-1

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Potential Energy
Epot(MMFF94)=-18.2627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.089 g/mol  logS: -0.96814  SlogP: -2.5404  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.20999e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09757  Sterimol/B3: 2.81147
  Sterimol/B4: 5.24157  Sterimol/L: 9.01724 
 
 Surface and Volume Properties
  Accessible surface: 285.862  Positive charged surface: 119.127  Negative charged surface: 166.735  Volume: 117.125
  Hydrophobic surface: 40.5059  Hydrophilic surface: 245.3561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00008141
ACROSORGANICS-ZINC00895161