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PUBCHEM-ZINC06117434

 MMsINC code: MMs03546452
Type: Neutral
Formula: C6H4OS3
SMILES:   S1S(Sc2c1cccc2)=O
InChI:   InChI=1/C6H4OS3/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.6786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.295 g/mol  logS: -4.06101  SlogP: 2.4631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00765553  Sterimol/B1: 2.25179  Sterimol/B2: 2.719  Sterimol/B3: 3.23699
  Sterimol/B4: 4.61953  Sterimol/L: 10.4412 
 
 Surface and Volume Properties
  Accessible surface: 320.126  Positive charged surface: 124.426  Negative charged surface: 195.7  Volume: 144.5
  Hydrophobic surface: 250.54  Hydrophilic surface: 69.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.