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PUBCHEM-ZINC05935094

 MMsINC code: MMs03452581
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-/m0/s1

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Potential Energy
Epot(MMFF94)=115.126 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: 0.0224592  Sterimol/B1: 2.42792  Sterimol/B2: 2.67864  Sterimol/B3: 3.37469
  Sterimol/B4: 7.94803  Sterimol/L: 14.1692 
 
 Surface and Volume Properties
  Accessible surface: 496.261  Positive charged surface: 232.88  Negative charged surface: 224.508  Volume: 290.375
  Hydrophobic surface: 483.985  Hydrophilic surface: 12.276
 
 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.