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PUBCHEM-ZINC03206929

 MMsINC code: MMs03007786
Type: Neutral
Formula: C8H8FNO2
SMILES:   Fc1cc(NC(OC)=O)ccc1
InChI:   InChI=1/C8H8FNO2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.9629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.155 g/mol  logS: -1.95877  SlogP: 2.004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268102  Sterimol/B1: 2.54614  Sterimol/B2: 2.67132  Sterimol/B3: 3.8725
  Sterimol/B4: 3.94635  Sterimol/L: 12.1612 
 
 Surface and Volume Properties
  Accessible surface: 349.925  Positive charged surface: 220.431  Negative charged surface: 129.494  Volume: 151.75
  Hydrophobic surface: 286.311  Hydrophilic surface: 63.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.