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PUBCHEM-ZINC06487688

 MMsINC code: MMs03762532
Type: Neutral
Formula: C14H14OS2
SMILES:   S(Sc1ccc(cc1)C)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H14OS2/c1-11-3-7-13(8-4-11)16-17(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=63.6979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.397 g/mol  logS: -5.55055  SlogP: 4.11834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454563  Sterimol/B1: 3.17328  Sterimol/B2: 3.56752  Sterimol/B3: 3.59848
  Sterimol/B4: 4.2762  Sterimol/L: 16.7545 
 
 Surface and Volume Properties
  Accessible surface: 495.777  Positive charged surface: 262.029  Negative charged surface: 233.748  Volume: 249.875
  Hydrophobic surface: 460.011  Hydrophilic surface: 35.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.