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PUBCHEM-ZINC02040791

 MMsINC code: MMs02862853
Type: Neutral
Formula: C10H19FO
SMILES:   FCCCCCCCCC(=O)C
InChI:   InChI=1/C10H19FO/c1-10(12)8-6-4-2-3-5-7-9-11/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.87219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.259 g/mol  logS: -2.28583  SlogP: 3.2756  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.031043  Sterimol/B1: 2.37539  Sterimol/B2: 2.37556  Sterimol/B3: 2.55341
  Sterimol/B4: 3.54949  Sterimol/L: 16.2056 
 
 Surface and Volume Properties
  Accessible surface: 438.05  Positive charged surface: 318.818  Negative charged surface: 119.232  Volume: 193.875
  Hydrophobic surface: 363.364  Hydrophilic surface: 74.686
 
 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.