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PUBCHEM-ZINC04829707

 MMsINC code: MMs03176621
Type: Neutral
Formula: C20H20O6
SMILES:   O1C2C(OC3OC(OC3C2O)c2ccccc2)COC1c1ccccc1
InChI:   InChI=1/C20H20O6/c21-15-16-14(11-22-18(24-16)12-7-3-1-4-8-12)23-20-17(15)25-19(26-20)13-9-5-2-6-10-13/h1-10,14-21H,11H2/t14-,15-,16+,17+,18+,19+,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.374 g/mol  logS: -3.72571  SlogP: 2.4916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196772  Sterimol/B1: 2.22344  Sterimol/B2: 4.10426  Sterimol/B3: 4.15994
  Sterimol/B4: 7.72221  Sterimol/L: 13.7387 
 
 Surface and Volume Properties
  Accessible surface: 518.116  Positive charged surface: 324.187  Negative charged surface: 193.93  Volume: 316.875
  Hydrophobic surface: 415.69  Hydrophilic surface: 102.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.