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PUBCHEM-ZINC02040631

 MMsINC code: MMs02862778
Type: Neutral
Formula: C7H15FO
SMILES:   FCCCCCCCO
InChI:   InChI=1/C7H15FO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.52118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.194 g/mol  logS: -1.03399  SlogP: 1.8987  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0526165  Sterimol/B1: 2.11574  Sterimol/B2: 2.37509  Sterimol/B3: 2.37623
  Sterimol/B4: 3.00046  Sterimol/L: 13.4387 
 
 Surface and Volume Properties
  Accessible surface: 357.652  Positive charged surface: 276.231  Negative charged surface: 81.4205  Volume: 149.5
  Hydrophobic surface: 264.422  Hydrophilic surface: 93.23
 
 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.