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NCID-ZINC01670429

 MMsINC code: MMs02306457
Type: Neutral
Formula: C26H22S2
SMILES:   S(Sc1ccc(cc1)Cc1ccccc1)c1ccc(cc1)Cc1ccccc1
InChI:   InChI=1/C26H22S2/c1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)27-28-26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-18H,19-20H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.594 g/mol  logS: -9.5667  SlogP: 7.66754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135939  Sterimol/B1: 2.42908  Sterimol/B2: 3.1875  Sterimol/B3: 4.35809
  Sterimol/B4: 10.2684  Sterimol/L: 14.006 
 
 Surface and Volume Properties
  Accessible surface: 675.387  Positive charged surface: 356.17  Negative charged surface: 319.217  Volume: 401
  Hydrophobic surface: 675.387  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.