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NCID-ZINC04771308

 MMsINC code: MMs02402528
Type: Neutral
Formula: C3H4N2O4
SMILES:   O1CCN([N+](=O)[O-])C1=O
InChI:   InChI=1/C3H4N2O4/c6-3-4(5(7)8)1-2-9-3/h1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.37935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.075 g/mol  logS: -0.75541  SlogP: -0.3697  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0927408  Sterimol/B1: 2.38067  Sterimol/B2: 2.38145  Sterimol/B3: 2.50414
  Sterimol/B4: 4.86741  Sterimol/L: 8.49799 
 
 Surface and Volume Properties
  Accessible surface: 261.862  Positive charged surface: 139.266  Negative charged surface: 122.596  Volume: 95
  Hydrophobic surface: 107.993  Hydrophilic surface: 153.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.