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MAYBRIDGE-ZINC04323399

 MMsINC code: MMs02165933
Type: Neutral
Formula: C8H8Cl2O5S2
SMILES:   Clc1cc(OS(=O)(=O)CS(=O)(=O)C)ccc1Cl
InChI:   InChI=1/C8H8Cl2O5S2/c1-16(11,12)5-17(13,14)15-6-2-3-7(9)8(10)4-6/h2-4H,5H2,1H3

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Potential Energy
Epot(MMFF94)=31.1763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.185 g/mol  logS: -2.9436  SlogP: 1.7041  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.209758  Sterimol/B1: 2.11406  Sterimol/B2: 4.26383  Sterimol/B3: 4.77397
  Sterimol/B4: 5.11556  Sterimol/L: 12.5856 
 
 Surface and Volume Properties
  Accessible surface: 445.741  Positive charged surface: 138.311  Negative charged surface: 307.43  Volume: 223.875
  Hydrophobic surface: 315.07  Hydrophilic surface: 130.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.