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PUBCHEM-ZINC06235047

 MMsINC code: MMs03628554
Type: Neutral
Formula: C7H5F2NO2
SMILES:   Fc1cccc(F)c1C(=O)NO
InChI:   InChI=1/C7H5F2NO2/c8-4-2-1-3-5(9)6(4)7(11)10-12/h1-3,12H,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.2893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.118 g/mol  logS: -2.03035  SlogP: 1.0838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757265  Sterimol/B1: 2.37227  Sterimol/B2: 3.76291  Sterimol/B3: 3.87872
  Sterimol/B4: 3.87919  Sterimol/L: 10.8578 
 
 Surface and Volume Properties
  Accessible surface: 329.65  Positive charged surface: 147.006  Negative charged surface: 182.644  Volume: 133.75
  Hydrophobic surface: 206.126  Hydrophilic surface: 123.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.