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PUBCHEM-ZINC05934137

 MMsINC code: MMs03451963
Type: Neutral
Formula: C24H18S3
SMILES:   S(c1cc(Sc2ccccc2)ccc1)c1cc(Sc2ccccc2)ccc1
InChI:   InChI=1/C24H18S3/c1-3-9-19(10-4-1)25-21-13-7-15-23(17-21)27-24-16-8-14-22(18-24)26-20-11-5-2-6-12-20/h1-18H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.0288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.606 g/mol  logS: -9.92066  SlogP: 8.1402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869376  Sterimol/B1: 4.01035  Sterimol/B2: 4.28597  Sterimol/B3: 4.31281
  Sterimol/B4: 7.50096  Sterimol/L: 16.326 
 
 Surface and Volume Properties
  Accessible surface: 678.336  Positive charged surface: 329.626  Negative charged surface: 348.71  Volume: 387.5
  Hydrophobic surface: 575.748  Hydrophilic surface: 102.588
 
 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.