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CHEMDIV-ZINC02030433

 MMsINC code: MMs00869980
Type: Neutral
Formula: C24H20S2
SMILES:   S(Cc1ccccc1)c1c2c(ccc1)c(SCc1ccccc1)ccc2
InChI:   InChI=1/C24H20S2/c1-3-9-19(10-4-1)17-25-23-15-7-14-22-21(23)13-8-16-24(22)26-18-20-11-5-2-6-12-20/h1-16H,17-18H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.556 g/mol  logS: -8.84136  SlogP: 7.9572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356085  Sterimol/B1: 3.61686  Sterimol/B2: 3.62335  Sterimol/B3: 4.34486
  Sterimol/B4: 5.65934  Sterimol/L: 22.0499 
 
 Surface and Volume Properties
  Accessible surface: 666.707  Positive charged surface: 339.065  Negative charged surface: 316.843  Volume: 374
  Hydrophobic surface: 616.334  Hydrophilic surface: 50.373
 
 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.