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NCID-ZINC05063382

 MMsINC code: MMs02435093
Type: Neutral
Formula: C26H30O8
SMILES:   O1C(C(OC(=O)c2ccccc2)C2OC(OC2)(C)C)C(OC1(C)C)COC(=O)c1ccccc1
InChI:   InChI=1/C26H30O8/c1-25(2)30-16-20(32-25)21(31-24(28)18-13-9-6-10-14-18)22-19(33-26(3,4)34-22)15-29-23(27)17-11-7-5-8-12-17/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21+,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.33 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.518 g/mol  logS: -6.23168  SlogP: 3.7406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188244  Sterimol/B1: 3.98556  Sterimol/B2: 5.69799  Sterimol/B3: 6.86117
  Sterimol/B4: 7.70126  Sterimol/L: 18.0803 
 
 Surface and Volume Properties
  Accessible surface: 782.117  Positive charged surface: 483.464  Negative charged surface: 298.653  Volume: 446.25
  Hydrophobic surface: 644.285  Hydrophilic surface: 137.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.