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APOLLO-ZINC04348059

 MMsINC code: MMs00059152
Type: Neutral
Formula: C6H4F2N2O2
SMILES:   Fc1cc(N)cc(F)c1[N+](=O)[O-]
InChI:   InChI=1/C6H4F2N2O2/c7-4-1-3(9)2-5(8)6(4)10(11)12/h1-2H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.2779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.106 g/mol  logS: -2.48595  SlogP: 1.4552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300909  Sterimol/B1: 2.66163  Sterimol/B2: 2.86434  Sterimol/B3: 2.86478
  Sterimol/B4: 5.06755  Sterimol/L: 10.0112 
 
 Surface and Volume Properties
  Accessible surface: 312.217  Positive charged surface: 118.049  Negative charged surface: 194.169  Volume: 126.875
  Hydrophobic surface: 168.557  Hydrophilic surface: 143.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.