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PUBCHEM-ZINC03471184

 MMsINC code: MMs03014925
Type: Neutral
Formula: C14H8F4N2O4
SMILES:   FC(F)(C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C14H8F4N2O4/c15-13(16,9-1-5-11(6-2-9)19(21)22)14(17,18)10-3-7-12(8-4-10)20(23)24/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.22 g/mol  logS: -6.11348  SlogP: 5.0098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224862  Sterimol/B1: 2.42035  Sterimol/B2: 2.56521  Sterimol/B3: 3.22192
  Sterimol/B4: 4.81523  Sterimol/L: 16.915 
 
 Surface and Volume Properties
  Accessible surface: 498.539  Positive charged surface: 151.444  Negative charged surface: 347.095  Volume: 253.375
  Hydrophobic surface: 253.4  Hydrophilic surface: 245.139
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.