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PUBCHEM-ZINC02040703

 MMsINC code: MMs02862803
Type: Neutral
Formula: C6H11FO
SMILES:   FCCCCCC=O
InChI:   InChI=1/C6H11FO/c7-5-3-1-2-4-6-8/h6H,1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.05879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.151 g/mol  logS: -0.43401  SlogP: 1.7152  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0858013  Sterimol/B1: 2.40495  Sterimol/B2: 2.50642  Sterimol/B3: 2.61723
  Sterimol/B4: 3.19413  Sterimol/L: 11.4334 
 
 Surface and Volume Properties
  Accessible surface: 311.24  Positive charged surface: 217.232  Negative charged surface: 94.0087  Volume: 124
  Hydrophobic surface: 210.781  Hydrophilic surface: 100.459
 
 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.