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PUBCHEM-ZINC02173006

 MMsINC code: MMs02880928
Type: Neutral
Formula: C26H18S2
SMILES:   s1c(ccc1-c1ccccc1)-c1ccc(cc1)-c1sc(cc1)-c1ccccc1
InChI:   InChI=1/C26H18S2/c1-3-7-19(8-4-1)23-15-17-25(27-23)21-11-13-22(14-12-21)26-18-16-24(28-26)20-9-5-2-6-10-20/h1-18H

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Potential Energy
Epot(MMFF94)=102.388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.562 g/mol  logS: -10.2731  SlogP: 8.4776  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.30374e-07  Sterimol/B1: 2.1815  Sterimol/B2: 2.19149  Sterimol/B3: 3.42685
  Sterimol/B4: 5.59842  Sterimol/L: 23.5859 
 
 Surface and Volume Properties
  Accessible surface: 676.391  Positive charged surface: 290.672  Negative charged surface: 385.719  Volume: 394.25
  Hydrophobic surface: 676.391  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: 0
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Ions/Tautomers related molecules: no related molecules available.