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PUBCHEM-ZINC05308207

 MMsINC code: MMs03236213
Type: Neutral
Formula: C11H20O2
SMILES:   OC1(CCCCC1)C(=O)CCCC
InChI:   InChI=1/C11H20O2/c1-2-3-7-10(12)11(13)8-5-4-6-9-11/h13H,2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.7837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -2.43006  SlogP: 2.4409  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0767796  Sterimol/B1: 2.91889  Sterimol/B2: 3.55822  Sterimol/B3: 3.61352
  Sterimol/B4: 3.77089  Sterimol/L: 14.0644 
 
 Surface and Volume Properties
  Accessible surface: 411.599  Positive charged surface: 314.047  Negative charged surface: 97.5527  Volume: 201.875
  Hydrophobic surface: 340.282  Hydrophilic surface: 71.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.