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PUBCHEM-ZINC05413754

 MMsINC code: MMs03261430
Type: Neutral
Formula: C23H22S
SMILES:   S(\C(=C\c1ccc(cc1)C)\Cc1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C23H22S/c1-18-8-12-20(13-9-18)16-23(24-22-6-4-3-5-7-22)17-21-14-10-19(2)11-15-21/h3-16H,17H2,1-2H3/b23-16-

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Potential Energy
Epot(MMFF94)=116.422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.495 g/mol  logS: -7.52276  SlogP: 6.67931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118062  Sterimol/B1: 2.8249  Sterimol/B2: 4.29922  Sterimol/B3: 4.86077
  Sterimol/B4: 8.88141  Sterimol/L: 16.115 
 
 Surface and Volume Properties
  Accessible surface: 619.105  Positive charged surface: 352.192  Negative charged surface: 266.913  Volume: 349.5
  Hydrophobic surface: 601.239  Hydrophilic surface: 17.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.