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PUBCHEM-ZINC00056836

 MMsINC code: MMs02630734
Type: Neutral
Formula: C9H4F4N2
SMILES:   Fc1c(-n2ccnc2)c(F)c(F)cc1F
InChI:   InChI=1/C9H4F4N2/c10-5-3-6(11)8(13)9(7(5)12)15-2-1-14-4-15/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.137 g/mol  logS: -2.88689  SlogP: 2.4287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903807  Sterimol/B1: 2.70539  Sterimol/B2: 3.57109  Sterimol/B3: 3.65542
  Sterimol/B4: 4.05445  Sterimol/L: 11.2595 
 
 Surface and Volume Properties
  Accessible surface: 355.863  Positive charged surface: 177.077  Negative charged surface: 178.786  Volume: 162.125
  Hydrophobic surface: 320.389  Hydrophilic surface: 35.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.