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PUBCHEM-ZINC02072668

 MMsINC code: MMs02869526
Type: Neutral
Formula: C16H12S4
SMILES:   S\1c2cc(ccc2S/C/1=C\1/Sc2cc(ccc2S/1)C)C
InChI:   InChI=1/C16H12S4/c1-9-3-5-11-13(7-9)19-15(17-11)16-18-12-6-4-10(2)8-14(12)20-16/h3-8H,1-2H3/b16-15+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.0229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.536 g/mol  logS: -6.87634  SlogP: 6.52584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00359149  Sterimol/B1: 2.18833  Sterimol/B2: 2.51226  Sterimol/B3: 3.55341
  Sterimol/B4: 5.14335  Sterimol/L: 18.7234 
 
 Surface and Volume Properties
  Accessible surface: 549.384  Positive charged surface: 255.17  Negative charged surface: 294.214  Volume: 292.25
  Hydrophobic surface: 398.391  Hydrophilic surface: 150.993
 
 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.