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PUBCHEM-ZINC03137231

 MMsINC code: MMs03000255
Type: Neutral
Formula: C24H18S2
SMILES:   S(Sc1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C24H18S2/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.54 g/mol  logS: -10.1867  SlogP: 7.82  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0969392  Sterimol/B1: 2.26322  Sterimol/B2: 3.39923  Sterimol/B3: 4.54518
  Sterimol/B4: 8.49662  Sterimol/L: 17.4345 
 
 Surface and Volume Properties
  Accessible surface: 636.556  Positive charged surface: 266.018  Negative charged surface: 348.565  Volume: 366
  Hydrophobic surface: 636.556  Hydrophilic surface: 0
 
 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.