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PUBCHEM-ZINC01541241

 MMsINC code: MMs02814036
Type: Neutral
Formula: C20H24O6
SMILES:   O1c2c(cc(cc2OC)CCCO)C(CO)C1c1cc(OC)c(O)cc1
InChI:   InChI=1/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.406 g/mol  logS: -2.83212  SlogP: 2.63937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0931704  Sterimol/B1: 2.28769  Sterimol/B2: 2.34856  Sterimol/B3: 6.51151
  Sterimol/B4: 8.15491  Sterimol/L: 17.7299 
 
 Surface and Volume Properties
  Accessible surface: 646.708  Positive charged surface: 501.649  Negative charged surface: 145.059  Volume: 344
  Hydrophobic surface: 468.152  Hydrophilic surface: 178.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.