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ALFAAESAR-ZINC04290166

 MMsINC code: MMs00024707
Type: Neutral
Formula: C4H7F3O
SMILES:   FC(F)(F)CCCO
InChI:   InChI=1/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.70694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.093 g/mol  logS: -0.87453  SlogP: 1.7411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130629  Sterimol/B1: 2.11003  Sterimol/B2: 2.63724  Sterimol/B3: 2.6389
  Sterimol/B4: 3.13414  Sterimol/L: 9.61303 
 
 Surface and Volume Properties
  Accessible surface: 275.428  Positive charged surface: 144.256  Negative charged surface: 131.171  Volume: 99.75
  Hydrophobic surface: 116.265  Hydrophilic surface: 159.163
 
 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.