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PUBCHEM-ZINC03122855

 MMsINC code: MMs02996987
Type: Neutral
Formula: C25H19O2+
SMILES:   [o+]1c2c(cc(C)c1-c1cc3c(cc(OC)cc3)cc1)c1c(cc2)cccc1
InChI:   InChI=1/C25H19O2/c1-16-13-23-22-6-4-3-5-17(22)10-12-24(23)27-25(16)20-8-7-19-15-21(26-2)11-9-18(19)14-20/h3-15H,1-2H3/q+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.425 g/mol  logS: -9.46625  SlogP: 7.00432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255606  Sterimol/B1: 2.06361  Sterimol/B2: 2.38782  Sterimol/B3: 3.85142
  Sterimol/B4: 7.67242  Sterimol/L: 20.3915 
 
 Surface and Volume Properties
  Accessible surface: 614.66  Positive charged surface: 351.103  Negative charged surface: 234.288  Volume: 350.25
  Hydrophobic surface: 590.399  Hydrophilic surface: 24.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.