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PUBCHEM-ZINC05834564

 MMsINC code: MMs03407272
Type: Neutral
Formula: C4H5FN2O2
SMILES:   FC1=CNC(=O)NC1O
InChI:   InChI=1/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-22.0359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.094 g/mol  logS: -0.09317  SlogP: -0.4626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885723  Sterimol/B1: 2.51468  Sterimol/B2: 2.74165  Sterimol/B3: 3.06802
  Sterimol/B4: 5.23882  Sterimol/L: 7.90676 
 
 Surface and Volume Properties
  Accessible surface: 272.343  Positive charged surface: 151.403  Negative charged surface: 120.94  Volume: 103.375
  Hydrophobic surface: 113.163  Hydrophilic surface: 159.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.