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ACROSORGANICS-ZINC00164393

 MMsINC code: MMs00006129
Type: Neutral
Formula: C7H4F3NO2
SMILES:   FC(F)(F)c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.108 g/mol  logS: -3.23166  SlogP: 2.9251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364136  Sterimol/B1: 2.56137  Sterimol/B2: 2.63641  Sterimol/B3: 2.63972
  Sterimol/B4: 6.02708  Sterimol/L: 10.3598 
 
 Surface and Volume Properties
  Accessible surface: 326.133  Positive charged surface: 80.6175  Negative charged surface: 245.516  Volume: 136.125
  Hydrophobic surface: 139.437  Hydrophilic surface: 186.696
 
 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.