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PUBCHEM-ZINC02040704

 MMsINC code: MMs02862804
Type: Neutral
Formula: C6H13FO
SMILES:   FCCCCCCO
InChI:   InChI=1/C6H13FO/c7-5-3-1-2-4-6-8/h8H,1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.27081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.167 g/mol  logS: -0.51877  SlogP: 1.5086  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0660664  Sterimol/B1: 2.24959  Sterimol/B2: 2.37488  Sterimol/B3: 2.3758
  Sterimol/B4: 3.06419  Sterimol/L: 12.1621 
 
 Surface and Volume Properties
  Accessible surface: 324.376  Positive charged surface: 247.86  Negative charged surface: 76.5159  Volume: 129.25
  Hydrophobic surface: 232.616  Hydrophilic surface: 91.76
 
 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.