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PUBCHEM-ZINC00897931

 MMsINC code: MMs02741869
Type: Neutral
Formula: C26H30O8
SMILES:   O1c2c(C=CC1(C)C)c(O)c(Cc1c(OC)c(C)c(O)c(C(=O)C)c1O)c(O)c2C(=
O)C(C)C
InChI:   InChI=1/C26H30O8/c1-11(2)19(28)18-22(31)15(21(30)14-8-9-26(5,6)34-25(14)18)10-16-23(32)17(13(4)27)20(29)12(3)24(16)33-7/h8-9,11,29-32H,10H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.518 g/mol  logS: -4.31196  SlogP: 4.64229  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169892  Sterimol/B1: 3.20633  Sterimol/B2: 3.81288  Sterimol/B3: 5.33797
  Sterimol/B4: 8.51658  Sterimol/L: 14.8256 
 
 Surface and Volume Properties
  Accessible surface: 714.742  Positive charged surface: 485.47  Negative charged surface: 229.272  Volume: 444.5
  Hydrophobic surface: 497.795  Hydrophilic surface: 216.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  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: 0
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Ions/Tautomers related molecules: no related molecules available.