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ACROSORGANICS-ZINC00164838

 MMsINC code: MMs00006296
Type: Neutral
Formula: C6H5F2N
SMILES:   Fc1cc(N)cc(F)c1
InChI:   InChI=1/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.2193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.109 g/mol  logS: -1.69572  SlogP: 1.547  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.32563e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09843  Sterimol/B3: 2.66127
  Sterimol/B4: 5.06792  Sterimol/L: 8.67657 
 
 Surface and Volume Properties
  Accessible surface: 276.167  Positive charged surface: 137.857  Negative charged surface: 138.31  Volume: 107.5
  Hydrophobic surface: 216.215  Hydrophilic surface: 59.952
 
 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.