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PUBCHEM-ZINC06118113

 MMsINC code: MMs03547149
Type: Neutral
Formula: C24H16O2
SMILES:   OC1C=Cc2c(cc3-c4c(-c5c3c2cc2c5cccc2)cccc4)C1O
InChI:   InChI=1/C24H16O2/c25-21-10-9-16-18-11-13-5-1-2-6-14(13)22-17-8-4-3-7-15(17)19(23(18)22)12-20(16)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)=133.147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.39 g/mol  logS: -8.5446  SlogP: 5.157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364854  Sterimol/B1: 2.47873  Sterimol/B2: 3.42576  Sterimol/B3: 3.75688
  Sterimol/B4: 10.5706  Sterimol/L: 13.8739 
 
 Surface and Volume Properties
  Accessible surface: 560.197  Positive charged surface: 283.743  Negative charged surface: 229.871  Volume: 325.5
  Hydrophobic surface: 454.622  Hydrophilic surface: 105.575
 
 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.