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PUBCHEM-ZINC05784424

 MMsINC code: MMs03384794
Type: Neutral
Formula: C6H5FN2O2
SMILES:   Fc1c(N)cccc1[N+](=O)[O-]
InChI:   InChI=1/C6H5FN2O2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H,8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.9466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.116 g/mol  logS: -2.19097  SlogP: 1.3161  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.3301e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09913  Sterimol/B3: 2.5642
  Sterimol/B4: 5.75221  Sterimol/L: 9.89892 
 
 Surface and Volume Properties
  Accessible surface: 302.174  Positive charged surface: 138.7  Negative charged surface: 163.475  Volume: 124.125
  Hydrophobic surface: 162.34  Hydrophilic surface: 139.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.