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NCID-ZINC01692032

 MMsINC code: MMs02323852
Type: Neutral
Formula: C28H26S2
SMILES:   S(C(SCc1ccccc1)(Cc1ccccc1)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C28H26S2/c1-5-13-24(14-6-1)21-28(27-19-11-4-12-20-27,29-22-25-15-7-2-8-16-25)30-23-26-17-9-3-10-18-26/h1-20H,21-23H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.648 g/mol  logS: -8.76333  SlogP: 8.79317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247668  Sterimol/B1: 2.76326  Sterimol/B2: 4.39276  Sterimol/B3: 7.8741
  Sterimol/B4: 9.28143  Sterimol/L: 16.2157 
 
 Surface and Volume Properties
  Accessible surface: 704.777  Positive charged surface: 387.396  Negative charged surface: 317.381  Volume: 436.75
  Hydrophobic surface: 676.61  Hydrophilic surface: 28.167
 
 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.