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APOLLO-ZINC04334615

 MMsINC code: MMs00059132
Type: Neutral
Formula: C6H6F2N2
SMILES:   Fc1cc(N)cc(F)c1N
InChI:   InChI=1/C6H6F2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.7505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.124 g/mol  logS: -1.4166  SlogP: 1.1292  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.51425e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09844  Sterimol/B3: 2.66691
  Sterimol/B4: 5.07222  Sterimol/L: 9.4657 
 
 Surface and Volume Properties
  Accessible surface: 290.999  Positive charged surface: 169.528  Negative charged surface: 121.471  Volume: 117.875
  Hydrophobic surface: 173.952  Hydrophilic surface: 117.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.