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APOLLO-ZINC01847588

 MMsINC code: MMs00050070
Type: Neutral
Formula: C6HF4NO2
SMILES:   Fc1c([N+](=O)[O-])c(F)cc(F)c1F
InChI:   InChI=1/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.8178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.071 g/mol  logS: -3.35503  SlogP: 2.1512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453701  Sterimol/B1: 2.59564  Sterimol/B2: 2.86268  Sterimol/B3: 2.86644
  Sterimol/B4: 5.13135  Sterimol/L: 9.51268 
 
 Surface and Volume Properties
  Accessible surface: 306.872  Positive charged surface: 72.681  Negative charged surface: 234.191  Volume: 122.625
  Hydrophobic surface: 221.979  Hydrophilic surface: 84.893
 
 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.