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NCID-ZINC05369252

 MMsINC code: MMs02455376
Type: Neutral
Formula: C32H36O7
SMILES:   O1CCOCCOCCOc2c(-c3c4c(ccc3OCCOCCOCC1)cccc4)c1c(cc2)cccc1
InChI:   InChI=1/C32H36O7/c1-3-7-27-25(5-1)9-11-29-31(27)32-28-8-4-2-6-26(28)10-12-30(32)39-24-22-37-20-18-35-16-14-33-13-15-34-17-19-36-21-23-38-29/h1-12H,13-24H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=249.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 532.633 g/mol  logS: -8.52982  SlogP: 5.5142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624435  Sterimol/B1: 2.097  Sterimol/B2: 3.33036  Sterimol/B3: 6.02184
  Sterimol/B4: 8.92078  Sterimol/L: 18.915 
 
 Surface and Volume Properties
  Accessible surface: 819.491  Positive charged surface: 607.871  Negative charged surface: 194.501  Volume: 522.125
  Hydrophobic surface: 788.738  Hydrophilic surface: 30.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.