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PUBCHEM-ZINC05935095

 MMsINC code: MMs03452582
Type: Neutral
Formula: C22H14O
SMILES:   O1CC1c1c2c3c4c(cc2)cccc4ccc3c2c1cccc2
InChI:   InChI=1/C22H14O/c1-2-7-16-15(6-1)17-10-8-13-4-3-5-14-9-11-18(22(17)20(13)14)21(16)19-12-23-19/h1-11,19H,12H2/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=106.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.353 g/mol  logS: -8.61294  SlogP: 5.904  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0215345  Sterimol/B1: 2.4312  Sterimol/B2: 2.75525  Sterimol/B3: 3.34993
  Sterimol/B4: 7.88899  Sterimol/L: 14.157 
 
 Surface and Volume Properties
  Accessible surface: 497.848  Positive charged surface: 236.284  Negative charged surface: 222.14  Volume: 290.75
  Hydrophobic surface: 484.736  Hydrophilic surface: 13.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.