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APOLLO-ZINC02572596

 MMsINC code: MMs00054786
Type: Neutral
Formula: C4H6F4O
SMILES:   FC(F)(COC)C(F)F
InChI:   InChI=1/C4H6F4O/c1-9-2-4(7,8)3(5)6/h3H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.7164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.083 g/mol  logS: -0.96463  SlogP: 2.373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150003  Sterimol/B1: 2.85179  Sterimol/B2: 2.93026  Sterimol/B3: 3.04584
  Sterimol/B4: 3.49123  Sterimol/L: 8.99357 
 
 Surface and Volume Properties
  Accessible surface: 283.976  Positive charged surface: 154.579  Negative charged surface: 129.397  Volume: 104.875
  Hydrophobic surface: 143.75  Hydrophilic surface: 140.226
 
 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.