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ALFAAESAR-ZINC02512232

 MMsINC code: MMs00023319
Type: Neutral
Formula: C8H18O2
SMILES:   O(CCCCCCOC)C
InChI:   InChI=1/C8H18O2/c1-9-7-5-3-4-6-8-10-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.7525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.23 g/mol  logS: -0.6829  SlogP: 1.8396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327819  Sterimol/B1: 2.37528  Sterimol/B2: 2.3759  Sterimol/B3: 2.62826
  Sterimol/B4: 2.75891  Sterimol/L: 15.5935 
 
 Surface and Volume Properties
  Accessible surface: 403.328  Positive charged surface: 370.604  Negative charged surface: 32.7232  Volume: 171.5
  Hydrophobic surface: 384.189  Hydrophilic surface: 19.139
 
 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.