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ALFAAESAR-ZINC02560087

 MMsINC code: MMs00023673
Type: Neutral
Formula: C3H5F3O
SMILES:   FC(F)(F)COC
InChI:   InChI=1/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.8856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 114.066 g/mol  logS: -0.81617  SlogP: 1.615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14985  Sterimol/B1: 2.35167  Sterimol/B2: 2.63602  Sterimol/B3: 2.64028
  Sterimol/B4: 2.66521  Sterimol/L: 8.35632 
 
 Surface and Volume Properties
  Accessible surface: 251.562  Positive charged surface: 135.556  Negative charged surface: 116.006  Volume: 85.5
  Hydrophobic surface: 131.149  Hydrophilic surface: 120.413
 
 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.