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PUBCHEM-ZINC06118169

 MMsINC code: MMs03547200
Type: Neutral
Formula: C24H16O2
SMILES:   OC1C=Cc2c(cc3c4c5c(c6c(cc5cc3)cccc6)ccc24)C1O
InChI:   InChI=1/C24H16O2/c25-21-10-9-17-19-8-7-18-16-4-2-1-3-13(16)11-14-5-6-15(23(19)22(14)18)12-20(17)24(21)26/h1-12,21,24-26H/t21-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.39 g/mol  logS: -8.5446  SlogP: 5.2538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195644  Sterimol/B1: 3.13157  Sterimol/B2: 3.40032  Sterimol/B3: 3.81186
  Sterimol/B4: 6.02936  Sterimol/L: 16.2941 
 
 Surface and Volume Properties
  Accessible surface: 547.309  Positive charged surface: 281.956  Negative charged surface: 221.069  Volume: 321
  Hydrophobic surface: 450.084  Hydrophilic surface: 97.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.