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PUBCHEM-ZINC06514098

 MMsINC code: MMs03777805
Type: Neutral
Formula: C8H8FNO
SMILES:   FC\C(=N\O)\c1ccccc1
InChI:   InChI=1/C8H8FNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6H2/b10-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.7596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.156 g/mol  logS: -1.8287  SlogP: 1.8344  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0149675  Sterimol/B1: 2.37318  Sterimol/B2: 2.37693  Sterimol/B3: 3.61686
  Sterimol/B4: 3.64766  Sterimol/L: 10.66 
 
 Surface and Volume Properties
  Accessible surface: 331.177  Positive charged surface: 187.496  Negative charged surface: 143.681  Volume: 143
  Hydrophobic surface: 218.409  Hydrophilic surface: 112.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.