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ACROSORGANICS-ZINC00058281

 MMsINC code: MMs00003592
Type: Neutral
Formula: C7H4F3NO3
SMILES:   FC(F)(F)c1cc(O)ccc1[N+](=O)[O-]
InChI:   InChI=1/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.7199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.107 g/mol  logS: -2.86971  SlogP: 2.6307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441436  Sterimol/B1: 2.49503  Sterimol/B2: 2.77918  Sterimol/B3: 3.32412
  Sterimol/B4: 5.38636  Sterimol/L: 9.7055 
 
 Surface and Volume Properties
  Accessible surface: 328.586  Positive charged surface: 107.504  Negative charged surface: 221.082  Volume: 140.125
  Hydrophobic surface: 120.945  Hydrophilic surface: 207.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.