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ACROSORGANICS-ZINC00406983

 MMsINC code: MMs00007848
Type: Neutral
Formula: C7H4F4O
SMILES:   Fc1c(OC)c(F)c(F)cc1F
InChI:   InChI=1/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.1 g/mol  logS: -2.61518  SlogP: 2.2516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509238  Sterimol/B1: 2.09739  Sterimol/B2: 2.85744  Sterimol/B3: 3.86779
  Sterimol/B4: 3.86855  Sterimol/L: 9.97837 
 
 Surface and Volume Properties
  Accessible surface: 314.528  Positive charged surface: 156.186  Negative charged surface: 158.342  Volume: 130.5
  Hydrophobic surface: 303.584  Hydrophilic surface: 10.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.