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PUBCHEM-ZINC03091365

 MMsINC code: MMs02992213
Type: Neutral
Formula: C26H23O4+
SMILES:   [o+]1c(cc(cc1-c1ccc(OC)cc1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
InChI:   InChI=1/C26H23O4/c1-27-22-10-4-18(5-11-22)21-16-25(19-6-12-23(28-2)13-7-19)30-26(17-21)20-8-14-24(29-3)15-9-20/h4-17H,1-3H3/q+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.466 g/mol  logS: -8.62566  SlogP: 6.5875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00572511  Sterimol/B1: 2.37456  Sterimol/B2: 2.37791  Sterimol/B3: 2.49651
  Sterimol/B4: 14.7352  Sterimol/L: 17.0342 
 
 Surface and Volume Properties
  Accessible surface: 714.729  Positive charged surface: 442.387  Negative charged surface: 248.178  Volume: 395.25
  Hydrophobic surface: 667.219  Hydrophilic surface: 47.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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: 1
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Ions/Tautomers related molecules: no related molecules available.