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ACROSORGANICS-ZINC03860799

 MMsINC code: MMs00015562
Type: Neutral
Formula: C2H3F3O
SMILES:   FC(F)(F)CO
InChI:   InChI=1/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.7487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 100.039 g/mol  logS: -0.47099  SlogP: 0.9609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.271779  Sterimol/B1: 2.09349  Sterimol/B2: 2.63728  Sterimol/B3: 2.63887
  Sterimol/B4: 2.87703  Sterimol/L: 6.97822 
 
 Surface and Volume Properties
  Accessible surface: 217.177  Positive charged surface: 89.0511  Negative charged surface: 128.126  Volume: 64.25
  Hydrophobic surface: 51.9126  Hydrophilic surface: 165.2644
 
 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


MMs00015563
ACROSORGANICS-ZINC03860799