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ACROSORGANICS-ZINC00152925

 MMsINC code: MMs00004677
Type: Neutral
Formula: C6H3F2NO2
SMILES:   Fc1cc([N+](=O)[O-])ccc1F
InChI:   InChI=1/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.6029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.091 g/mol  logS: -2.76507  SlogP: 1.873  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.97212e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09881  Sterimol/B3: 2.48741
  Sterimol/B4: 4.99104  Sterimol/L: 9.5447 
 
 Surface and Volume Properties
  Accessible surface: 292.637  Positive charged surface: 92.981  Negative charged surface: 199.656  Volume: 114.375
  Hydrophobic surface: 209.768  Hydrophilic surface: 82.869
 
 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.