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NCID-ZINC01709839

 MMsINC code: MMs02337154
Type: Neutral
Formula: C5H9F3O
SMILES:   FC(F)(F)C(CCO)C
InChI:   InChI=1/C5H9F3O/c1-4(2-3-9)5(6,7)8/h4,9H,2-3H2,1H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.1255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.12 g/mol  logS: -1.0763  SlogP: 1.9871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169803  Sterimol/B1: 2.04285  Sterimol/B2: 2.74257  Sterimol/B3: 3.07991
  Sterimol/B4: 5.02956  Sterimol/L: 9.65448 
 
 Surface and Volume Properties
  Accessible surface: 294.003  Positive charged surface: 156.937  Negative charged surface: 137.065  Volume: 116.375
  Hydrophobic surface: 123.707  Hydrophilic surface: 170.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.