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PUBCHEM-ZINC06116165

 MMsINC code: MMs03545048
Type: Neutral
Formula: C24H19S2+
SMILES:   [S+](c1ccccc1Sc1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H19S2/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.548 g/mol  logS: -8.76888  SlogP: 6.9332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961419  Sterimol/B1: 3.23662  Sterimol/B2: 4.57673  Sterimol/B3: 5.22459
  Sterimol/B4: 6.67127  Sterimol/L: 16.5757 
 
 Surface and Volume Properties
  Accessible surface: 615.881  Positive charged surface: 331.923  Negative charged surface: 283.957  Volume: 367
  Hydrophobic surface: 586.843  Hydrophilic surface: 29.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.