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ACROSORGANICS-ZINC00406984

 MMsINC code: MMs00007849
Type: Neutral
Formula: C6H2F4O
SMILES:   Fc1c(O)c(F)c(F)cc1F
InChI:   InChI=1/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.2419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.073 g/mol  logS: -2.20285  SlogP: 1.9486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149528  Sterimol/B1: 2.097  Sterimol/B2: 2.29434  Sterimol/B3: 3.86672
  Sterimol/B4: 3.86982  Sterimol/L: 8.46203 
 
 Surface and Volume Properties
  Accessible surface: 281.181  Positive charged surface: 108.28  Negative charged surface: 172.901  Volume: 109.375
  Hydrophobic surface: 231.59  Hydrophilic surface: 49.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.