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NCID-ZINC06002587

 MMsINC code: MMs02514569
Type: Neutral
Formula: C27H30O6
SMILES:   O1Cc2cc(cc(COCc3cc(cc(COCc4cc(cc(C1)c4O)C)c3O)C)c2O)C
InChI:   InChI=1/C27H30O6/c1-16-4-19-10-31-12-21-6-17(2)8-23(26(21)29)14-33-15-24-9-18(3)7-22(27(24)30)13-32-11-20(5-16)25(19)28/h4-9,28-30H,10-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.531 g/mol  logS: -5.72759  SlogP: 6.79086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316385  Sterimol/B1: 2.73323  Sterimol/B2: 3.51178  Sterimol/B3: 4.38249
  Sterimol/B4: 11.3078  Sterimol/L: 16.4918 
 
 Surface and Volume Properties
  Accessible surface: 708.428  Positive charged surface: 509.69  Negative charged surface: 198.738  Volume: 438.75
  Hydrophobic surface: 652.014  Hydrophilic surface: 56.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.