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MAYBRIDGE-ZINC00169930

 MMsINC code: MMs02145797
Type: Neutral
Formula: C12H10O4S3
SMILES:   s1cccc1S(=O)(=O)C1c2c(S(=O)(=O)C1)cccc2
InChI:   InChI=1/C12H10O4S3/c13-18(14)8-11(9-4-1-2-5-10(9)18)19(15,16)12-6-3-7-17-12/h1-7,11H,8H2/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=56.2826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.406 g/mol  logS: -3.54801  SlogP: 2.1459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740283  Sterimol/B1: 2.77409  Sterimol/B2: 3.50168  Sterimol/B3: 3.57356
  Sterimol/B4: 6.48051  Sterimol/L: 14.2061 
 
 Surface and Volume Properties
  Accessible surface: 460.109  Positive charged surface: 171.205  Negative charged surface: 288.904  Volume: 244.625
  Hydrophobic surface: 335.031  Hydrophilic surface: 125.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.