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PUBCHEM-ZINC02040805

 MMsINC code: MMs02862865
Type: Neutral
Formula: C10H18F2O2
SMILES:   FCCCCCCCC(OCCF)=O
InChI:   InChI=1/C10H18F2O2/c11-7-5-3-1-2-4-6-10(13)14-9-8-12/h1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.93784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.248 g/mol  logS: -2.16376  SlogP: 2.8092  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0258978  Sterimol/B1: 2.45256  Sterimol/B2: 2.60056  Sterimol/B3: 2.74902
  Sterimol/B4: 3.17485  Sterimol/L: 17.3548 
 
 Surface and Volume Properties
  Accessible surface: 466.886  Positive charged surface: 341.57  Negative charged surface: 125.316  Volume: 207.375
  Hydrophobic surface: 354.409  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.