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PUBCHEM-ZINC05134829

 MMsINC code: MMs03209801
Type: Neutral
Formula: C4H5FN2O2
SMILES:   FC1CNC(=O)NC1=O
InChI:   InChI=1/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-13.7236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.094 g/mol  logS: -0.46417  SlogP: -0.4162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151725  Sterimol/B1: 2.45524  Sterimol/B2: 2.56583  Sterimol/B3: 3.16742
  Sterimol/B4: 5.27766  Sterimol/L: 8.38149 
 
 Surface and Volume Properties
  Accessible surface: 268.758  Positive charged surface: 159.266  Negative charged surface: 109.493  Volume: 99.25
  Hydrophobic surface: 70.1256  Hydrophilic surface: 198.6324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.