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PUBCHEM-ZINC00638657

 MMsINC code: MMs02717546
Type: Neutral
Formula: C30H30O6
SMILES:   O(C)c1ccc(cc1)C(O)(C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)c
c1
InChI:   InChI=1/C30H30O6/c1-33-25-13-5-21(6-14-25)29(31,22-7-15-26(34-2)16-8-22)30(32,23-9-17-27(35-3)18-10-23)24-11-19-28(36-4)20-12-24/h5-20,31-32H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=406.367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.564 g/mol  logS: -6.45858  SlogP: 5.516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.360326  Sterimol/B1: 2.94142  Sterimol/B2: 5.50855  Sterimol/B3: 6.2777
  Sterimol/B4: 7.9389  Sterimol/L: 18.1677 
 
 Surface and Volume Properties
  Accessible surface: 729.799  Positive charged surface: 543.409  Negative charged surface: 186.39  Volume: 454.75
  Hydrophobic surface: 640.599  Hydrophilic surface: 89.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.