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ACROSORGANICS-ZINC01555301

 MMsINC code: MMs00009132
Type: Neutral
Formula: C3H4F4O
SMILES:   FC(F)(CO)C(F)F
InChI:   InChI=1/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.5902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.056 g/mol  logS: -0.61945  SlogP: 1.7189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28794  Sterimol/B1: 2.60786  Sterimol/B2: 2.94048  Sterimol/B3: 3.13376
  Sterimol/B4: 3.26024  Sterimol/L: 7.80604 
 
 Surface and Volume Properties
  Accessible surface: 249.987  Positive charged surface: 104.68  Negative charged surface: 145.307  Volume: 84.625
  Hydrophobic surface: 61.9878  Hydrophilic surface: 187.9992
 
 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


MMs00009133
ACROSORGANICS-ZINC01555301