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CHEMDIV-ZINC04919065

 MMsINC code: MMs00967103
Type: Neutral
Formula: C24H26O6
SMILES:   O(C)c1cc(ccc1OC)C1CC(=CC(=O)C1C(OCC)=O)c1cc(OC)ccc1
InChI:   InChI=1/C24H26O6/c1-5-30-24(26)23-19(16-9-10-21(28-3)22(14-16)29-4)12-17(13-20(23)25)15-7-6-8-18(11-15)27-2/h6-11,13-14,19,23H,5,12H2,1-4H3/t19-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.466 g/mol  logS: -4.89634  SlogP: 4.0317  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156594  Sterimol/B1: 2.19258  Sterimol/B2: 3.84767  Sterimol/B3: 6.01909
  Sterimol/B4: 11.1975  Sterimol/L: 17.0621 
 
 Surface and Volume Properties
  Accessible surface: 710.718  Positive charged surface: 531.009  Negative charged surface: 179.709  Volume: 398.25
  Hydrophobic surface: 612.233  Hydrophilic surface: 98.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.