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APOLLO-ZINC02242932

 MMsINC code: MMs00051078
Type: Neutral
Formula: C3H3F5O
SMILES:   FC(F)(OC)C(F)(F)F
InChI:   InChI=1/C3H3F5O/c1-9-3(7,8)2(4,5)6/h1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.4158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.046 g/mol  logS: -1.57547  SlogP: 2.6277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176578  Sterimol/B1: 2.35132  Sterimol/B2: 2.63851  Sterimol/B3: 2.63916
  Sterimol/B4: 2.84904  Sterimol/L: 8.35724 
 
 Surface and Volume Properties
  Accessible surface: 260.81  Positive charged surface: 91.5672  Negative charged surface: 169.243  Volume: 89.75
  Hydrophobic surface: 86.9354  Hydrophilic surface: 173.8746
 
 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.