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APOLLO-ZINC03876123

 MMsINC code: MMs00056197
Type: Neutral
Formula: C6H4F2N2O2
SMILES:   Fc1cc(F)cc([N+](=O)[O-])c1N
InChI:   InChI=1/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4338 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: 0.0151383  Sterimol/B1: 2.4101  Sterimol/B2: 2.44306  Sterimol/B3: 2.77009
  Sterimol/B4: 5.60955  Sterimol/L: 9.07723 
 
 Surface and Volume Properties
  Accessible surface: 305.35  Positive charged surface: 119.53  Negative charged surface: 185.82  Volume: 126.5
  Hydrophobic surface: 179.147  Hydrophilic surface: 126.203
 
 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.