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PUBCHEM-ZINC06072502

 MMsINC code: MMs03525342
Type: Ionized
Formula: C5H4FN2O4-
SMILES:   FC1C(NC(=O)NC1=O)C(=O)[O-]
InChI:   InChI=1/C5H5FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h1-2H,(H,10,11)(H2,7,8,9,12)/p-1/t1-,2+/m0/s1

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Potential Energy
Epot(MMFF94)=-10.8103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.095 g/mol  logS: -0.72046  SlogP: -2.2977  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.361196  Sterimol/B1: 2.79994  Sterimol/B2: 2.84271  Sterimol/B3: 4.22752
  Sterimol/B4: 5.21128  Sterimol/L: 8.46531 
 
 Surface and Volume Properties
  Accessible surface: 301.526  Positive charged surface: 128.288  Negative charged surface: 173.238  Volume: 122.875
  Hydrophobic surface: 32.9831  Hydrophilic surface: 268.5429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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MMs03525341
PUBCHEM-ZINC06072502