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PUBCHEM-ZINC01845823

 MMsINC code: MMs02823896
Type: Neutral
Formula: C11H24O2
SMILES:   O(C(OCC)CCCCCC)CC
InChI:   InChI=1/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.9189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.311 g/mol  logS: -3.00083  SlogP: 3.3559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437131  Sterimol/B1: 2.63263  Sterimol/B2: 3.30082  Sterimol/B3: 4.76002
  Sterimol/B4: 4.78346  Sterimol/L: 15.6088 
 
 Surface and Volume Properties
  Accessible surface: 491.702  Positive charged surface: 390.388  Negative charged surface: 101.315  Volume: 223.75
  Hydrophobic surface: 411.214  Hydrophilic surface: 80.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.