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PUBCHEM-ZINC00184708

 MMsINC code: MMs02637482
Type: Neutral
Formula: C10H5F2NO2
SMILES:   Fc1cc2c(cc1F)cccc2[N+](=O)[O-]
InChI:   InChI=1/C10H5F2NO2/c11-8-4-6-2-1-3-10(13(14)15)7(6)5-9(8)12/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.3171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.151 g/mol  logS: -4.64295  SlogP: 3.0262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00910055  Sterimol/B1: 2.4234  Sterimol/B2: 2.46607  Sterimol/B3: 2.78489
  Sterimol/B4: 6.4241  Sterimol/L: 10.3497 
 
 Surface and Volume Properties
  Accessible surface: 350.211  Positive charged surface: 116.061  Negative charged surface: 223.336  Volume: 164.875
  Hydrophobic surface: 275.341  Hydrophilic surface: 74.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.