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APOLLO-ZINC00406982

 MMsINC code: MMs00048843
Type: Neutral
Formula: C6H3F4N
SMILES:   Fc1c(N)c(F)cc(F)c1F
InChI:   InChI=1/C6H3F4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.089 g/mol  logS: -2.28568  SlogP: 1.8252  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.15023e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09891  Sterimol/B3: 2.58419
  Sterimol/B4: 5.15069  Sterimol/L: 8.96013 
 
 Surface and Volume Properties
  Accessible surface: 285.158  Positive charged surface: 125.287  Negative charged surface: 159.871  Volume: 115.5
  Hydrophobic surface: 226.928  Hydrophilic surface: 58.23
 
 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.