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PUBCHEM-ZINC03091298

 MMsINC code: MMs02992169
Type: Neutral
Formula: C20H16S4
SMILES:   S1\C(\SC=C1c1ccc(cc1)C)=C/1\SC(=CS\1)c1ccc(cc1)C
InChI:   InChI=1/C20H16S4/c1-13-3-7-15(8-4-13)17-11-21-19(23-17)20-22-12-18(24-20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b20-19-

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Potential Energy
Epot(MMFF94)=100.51 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.612 g/mol  logS: -7.38162  SlogP: 7.68704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00233817  Sterimol/B1: 2.43192  Sterimol/B2: 2.51208  Sterimol/B3: 2.51415
  Sterimol/B4: 7.3128  Sterimol/L: 20.9308 
 
 Surface and Volume Properties
  Accessible surface: 635.106  Positive charged surface: 283.962  Negative charged surface: 351.144  Volume: 354.25
  Hydrophobic surface: 491.122  Hydrophilic surface: 143.984
 
 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.