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APOLLO-ZINC02572594

 MMsINC code: MMs00054785
Type: Neutral
Formula: C6H2F4O2
SMILES:   Fc1c(O)c(O)c(F)c(F)c1F
InChI:   InChI=1/C6H2F4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.2593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.072 g/mol  logS: -1.8409  SlogP: 1.6542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319007  Sterimol/B1: 2.15753  Sterimol/B2: 2.27526  Sterimol/B3: 3.5317
  Sterimol/B4: 4.9165  Sterimol/L: 8.02668 
 
 Surface and Volume Properties
  Accessible surface: 295.25  Positive charged surface: 125.609  Negative charged surface: 169.641  Volume: 117.25
  Hydrophobic surface: 198.759  Hydrophilic surface: 96.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.