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PUBCHEM-ZINC04552051

 MMsINC code: MMs03133198
Type: Neutral
Formula: C36H34O6
SMILES:   O(C)c1ccc(cc1)C(O)(c1ccc(cc1)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1)
c1ccc(OC)cc1
InChI:   InChI=1/C36H34O6/c1-39-31-17-9-27(10-18-31)35(37,28-11-19-32(40-2)20-12-28)25-5-7-26(8-6-25)36(38,29-13-21-33(41-3)22-14-29)30-15-23-34(42-4)24-16-30/h5-24,37-38H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=241.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 562.662 g/mol  logS: -8.20004  SlogP: 6.9124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135394  Sterimol/B1: 3.2078  Sterimol/B2: 3.24083  Sterimol/B3: 5.97553
  Sterimol/B4: 12.0309  Sterimol/L: 16.9787 
 
 Surface and Volume Properties
  Accessible surface: 906.841  Positive charged surface: 633.209  Negative charged surface: 273.631  Volume: 547.25
  Hydrophobic surface: 820.632  Hydrophilic surface: 86.209
 
 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: 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.