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PUBCHEM-ZINC02040803

 MMsINC code: MMs02862863
Type: Neutral
Formula: C7H12F2O
SMILES:   FCC(=O)CCCCCF
InChI:   InChI=1/C7H12F2O/c8-5-3-1-2-4-7(10)6-9/h1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.6753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.168 g/mol  logS: -1.0565  SlogP: 2.0549  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0542497  Sterimol/B1: 2.15915  Sterimol/B2: 2.37502  Sterimol/B3: 2.37607
  Sterimol/B4: 3.75394  Sterimol/L: 12.7118 
 
 Surface and Volume Properties
  Accessible surface: 347.489  Positive charged surface: 232.706  Negative charged surface: 114.783  Volume: 144.375
  Hydrophobic surface: 220.598  Hydrophilic surface: 126.891
 
 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.