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PUBCHEM-ZINC04577278

 MMsINC code: MMs03137101
Type: Neutral
Formula: C26H36O9
SMILES:   O1CCOCCOc2c(OCCOCCOCCOc3c(OCCOCC1)cccc3)cccc2
InChI:   InChI=1/C26H36O9/c1-3-7-25-23(5-1)32-19-15-28-11-9-27-10-12-29-16-20-33-24-6-2-4-8-26(24)35-22-18-31-14-13-30-17-21-34-25/h1-8H,9-22H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=208.772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.565 g/mol  logS: -4.24278  SlogP: 2.9986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236308  Sterimol/B1: 2.68237  Sterimol/B2: 3.31611  Sterimol/B3: 6.71524
  Sterimol/B4: 7.83148  Sterimol/L: 21.3111 
 
 Surface and Volume Properties
  Accessible surface: 873.137  Positive charged surface: 697.355  Negative charged surface: 175.783  Volume: 477.75
  Hydrophobic surface: 831.266  Hydrophilic surface: 41.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 9  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: 0
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Ions/Tautomers related molecules: no related molecules available.