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PUBCHEM-ZINC06094294

 MMsINC code: MMs03540457
Type: Neutral
Formula: C20H14O2
SMILES:   O1CC1c1c2c3c4c(ccc3cc1)c(ccc4cc2)C1OC1
InChI:   InChI=1/C20H14O2/c1-5-13(17-9-21-17)15-8-4-12-2-6-14(18-10-22-18)16-7-3-11(1)19(15)20(12)16/h1-8,17-18H,9-10H2/t17-,18+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.2223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.33 g/mol  logS: -7.0001  SlogP: 4.9176  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0339166  Sterimol/B1: 2.67502  Sterimol/B2: 2.96931  Sterimol/B3: 3.36524
  Sterimol/B4: 7.57046  Sterimol/L: 14.5128 
 
 Surface and Volume Properties
  Accessible surface: 494.365  Positive charged surface: 249.175  Negative charged surface: 214.179  Volume: 277.375
  Hydrophobic surface: 452.909  Hydrophilic surface: 41.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.