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PUBCHEM-ZINC05018296

 MMsINC code: MMs03189844
Type: Neutral
Formula: C24H19S2+
SMILES:   [S+](c1ccc(Sc2ccccc2)cc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H19S2/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.728 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: 0.0792006  Sterimol/B1: 3.26044  Sterimol/B2: 4.34016  Sterimol/B3: 5.70112
  Sterimol/B4: 5.96162  Sterimol/L: 16.7569 
 
 Surface and Volume Properties
  Accessible surface: 631.487  Positive charged surface: 336.061  Negative charged surface: 295.426  Volume: 368.375
  Hydrophobic surface: 584.23  Hydrophilic surface: 47.257
 
 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.