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PUBCHEM-ZINC02040723

 MMsINC code: MMs02862817
Type: Neutral
Formula: C6H10F2O2
SMILES:   FCCCC(OCCF)=O
InChI:   InChI=1/C6H10F2O2/c7-3-1-2-6(9)10-5-4-8/h1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.49993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.14 g/mol  logS: -0.72978  SlogP: 1.2488  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0504541  Sterimol/B1: 2.48168  Sterimol/B2: 2.54669  Sterimol/B3: 2.77585
  Sterimol/B4: 3.18759  Sterimol/L: 12.3546 
 
 Surface and Volume Properties
  Accessible surface: 345.85  Positive charged surface: 235.191  Negative charged surface: 110.659  Volume: 135.25
  Hydrophobic surface: 233.373  Hydrophilic surface: 112.477
 
 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.