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PUBCHEM-ZINC06019385

 MMsINC code: MMs03494764
Type: Neutral
Formula: C5H5FN2O
SMILES:   Fc1cnc(OC)nc1
InChI:   InChI=1/C5H5FN2O/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.1896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.106 g/mol  logS: -1.23484  SlogP: 0.6243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235794  Sterimol/B1: 2.3749  Sterimol/B2: 2.3752  Sterimol/B3: 3.32341
  Sterimol/B4: 3.73897  Sterimol/L: 10.0822 
 
 Surface and Volume Properties
  Accessible surface: 281.844  Positive charged surface: 212.749  Negative charged surface: 69.0947  Volume: 111
  Hydrophobic surface: 234.813  Hydrophilic surface: 47.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.