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ALFAAESAR-ZINC04334573

 MMsINC code: MMs00024745
Type: Neutral
Formula: C7H5F3N2O2
SMILES:   FC(F)(F)c1cc(N)c([N+](=O)[O-])cc1
InChI:   InChI=1/C7H5F3N2O2/c8-7(9,10)4-1-2-6(12(13)14)5(11)3-4/h1-3H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.5371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.123 g/mol  logS: -2.95254  SlogP: 2.5073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362259  Sterimol/B1: 2.56705  Sterimol/B2: 2.70777  Sterimol/B3: 2.74855
  Sterimol/B4: 5.39415  Sterimol/L: 10.41 
 
 Surface and Volume Properties
  Accessible surface: 340.269  Positive charged surface: 111.542  Negative charged surface: 228.728  Volume: 147.125
  Hydrophobic surface: 110.099  Hydrophilic surface: 230.17
 
 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.