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PUBCHEM-ZINC06118119

 MMsINC code: MMs03547155
Type: Neutral
Formula: C24H16O2
SMILES:   OC1c2c3c4c(cccc4c4c(c3c3c(c2)cccc3)cccc4)C1O
InChI:   InChI=1/C24H16O2/c25-23-18-11-5-10-17-15-8-3-4-9-16(15)20-14-7-2-1-6-13(14)12-19(24(23)26)22(20)21(17)18/h1-12,23-26H/t23-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.39 g/mol  logS: -8.58728  SlogP: 5.5708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03376  Sterimol/B1: 2.86164  Sterimol/B2: 3.15717  Sterimol/B3: 3.57284
  Sterimol/B4: 9.10023  Sterimol/L: 13.3514 
 
 Surface and Volume Properties
  Accessible surface: 536.033  Positive charged surface: 266.72  Negative charged surface: 226.061  Volume: 320.625
  Hydrophobic surface: 459.219  Hydrophilic surface: 76.814
 
 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.