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ACROSORGANICS-ZINC00155763

 MMsINC code: MMs00005252
Type: Neutral
Formula: C12H10O4S3
SMILES:   S(SS(=O)(=O)c1ccccc1)(=O)(=O)c1ccccc1
InChI:   InChI=1/C12H10O4S3/c13-18(14,11-7-3-1-4-8-11)17-19(15,16)12-9-5-2-6-10-12/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.7482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.406 g/mol  logS: -4.67632  SlogP: 2.4974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100161  Sterimol/B1: 3.04071  Sterimol/B2: 3.6872  Sterimol/B3: 4.81709
  Sterimol/B4: 5.17264  Sterimol/L: 14.1749 
 
 Surface and Volume Properties
  Accessible surface: 467.875  Positive charged surface: 180.44  Negative charged surface: 287.436  Volume: 248.375
  Hydrophobic surface: 334.19  Hydrophilic surface: 133.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.