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ALFAAESAR-ZINC02556481

 MMsINC code: MMs00023625
Type: Neutral
Formula: C3H5F3O
SMILES:   FC(F)(F)CCO
InChI:   InChI=1/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.67298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.066 g/mol  logS: -0.67276  SlogP: 1.351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188857  Sterimol/B1: 2.11364  Sterimol/B2: 2.638  Sterimol/B3: 2.63913
  Sterimol/B4: 3.14454  Sterimol/L: 8.42257 
 
 Surface and Volume Properties
  Accessible surface: 244.998  Positive charged surface: 116.585  Negative charged surface: 128.413  Volume: 82.75
  Hydrophobic surface: 84.807  Hydrophilic surface: 160.191
 
 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: no related molecules available.