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MDPI-ZINC01606240

 MMsINC code: MMs02175847
Type: Neutral
Formula: C16H14O2
SMILES:   OC(=O)C(=C(c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C16H14O2/c1-12(16(17)18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=75.0917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.286 g/mol  logS: -3.65454  SlogP: 3.41029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19413  Sterimol/B1: 2.93887  Sterimol/B2: 3.49717  Sterimol/B3: 3.67745
  Sterimol/B4: 6.65811  Sterimol/L: 12.169 
 
 Surface and Volume Properties
  Accessible surface: 459.364  Positive charged surface: 272.516  Negative charged surface: 186.848  Volume: 241.625
  Hydrophobic surface: 388.11  Hydrophilic surface: 71.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.