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NCID-ZINC05369244

 MMsINC code: MMs02455372
Type: Neutral
Formula: C30H34O6
SMILES:   O(CCOCCOC)c1ccc2c(cccc2)c1-c1cc(OCCOCCOC)cc2c1cccc2
InChI:   InChI=1/C30H34O6/c1-31-13-15-33-17-19-35-25-21-24-8-4-5-9-26(24)28(22-25)30-27-10-6-3-7-23(27)11-12-29(30)36-20-18-34-16-14-32-2/h3-12,21-22H,13-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=160.474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.596 g/mol  logS: -8.23834  SlogP: 5.7436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172095  Sterimol/B1: 2.81242  Sterimol/B2: 5.09567  Sterimol/B3: 6.23302
  Sterimol/B4: 11.5497  Sterimol/L: 20.6419 
 
 Surface and Volume Properties
  Accessible surface: 875.396  Positive charged surface: 682.31  Negative charged surface: 183.038  Volume: 492.75
  Hydrophobic surface: 847.956  Hydrophilic surface: 27.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.