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PUBCHEM-ZINC06126171

 MMsINC code: MMs03550114
Type: Neutral
Formula: C8H8FNO2
SMILES:   Fc1ccccc1NC(OC)=O
InChI:   InChI=1/C8H8FNO2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.1701 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: 0.0262746  Sterimol/B1: 2.54555  Sterimol/B2: 2.65663  Sterimol/B3: 3.83618
  Sterimol/B4: 4.25452  Sterimol/L: 12.17 
 
 Surface and Volume Properties
  Accessible surface: 349.092  Positive charged surface: 223.117  Negative charged surface: 125.975  Volume: 150.625
  Hydrophobic surface: 287.004  Hydrophilic surface: 62.088
 
 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.