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APOLLO-ZINC01845822

 MMsINC code: MMs00050054
Type: Neutral
Formula: C3H5F3O
SMILES:   FC(F)(F)OCC
InChI:   InChI=1/C3H5F3O/c1-2-7-3(4,5)6/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.501164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.066 g/mol  logS: -1.19934  SlogP: 1.9626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149675  Sterimol/B1: 2.50812  Sterimol/B2: 2.63659  Sterimol/B3: 2.64011
  Sterimol/B4: 2.73168  Sterimol/L: 8.34357 
 
 Surface and Volume Properties
  Accessible surface: 251.945  Positive charged surface: 111.323  Negative charged surface: 140.622  Volume: 83.5
  Hydrophobic surface: 101.754  Hydrophilic surface: 150.191
 
 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.