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CHEMDIV-ZINC03898916

MMsINC code: MMs00918186

Type: Neutral
Formula: C20H26O6
SMILES:   O(CCOCCOCCOc1ccccc1OC)c1ccccc1OC
InChI:   InChI=1/C20H26O6/c1-21-17-7-3-5-9-19(17)25-15-13-23-11-12-24-14-16-26-20-10-6-4-8-18(20)22-2/h3-10H,11-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=126.32 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.422 g/mol  logS: -3.66602  SlogP: 3.1948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116581  Sterimol/B1: 2.37272  Sterimol/B2: 4.57859  Sterimol/B3: 5.71429
  Sterimol/B4: 6.38918  Sterimol/L: 18.5527 
 
 Surface and Volume Properties
  Accessible surface: 725.654  Positive charged surface: 567.026  Negative charged surface: 158.628  Volume: 359.25
  Hydrophobic surface: 692.923  Hydrophilic surface: 32.731
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.