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ACROSORGANICS-ZINC00164598

 MMsINC code: MMs00006214
Type: Neutral
Formula: C7H6FNO2
SMILES:   Fc1ccc([N+](=O)[O-])cc1C
InChI:   InChI=1/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.128 g/mol  logS: -2.63056  SlogP: 2.04232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223841  Sterimol/B1: 2.10256  Sterimol/B2: 2.51211  Sterimol/B3: 3.26867
  Sterimol/B4: 5.26066  Sterimol/L: 10.0842 
 
 Surface and Volume Properties
  Accessible surface: 314.781  Positive charged surface: 129.18  Negative charged surface: 185.601  Volume: 129.625
  Hydrophobic surface: 232.482  Hydrophilic surface: 82.299
 
 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.