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ACROSORGANICS-ZINC01700072

 MMsINC code: MMs00011359
Type: Neutral
Formula: C10H8O6S2
SMILES:   S(O)(=O)(=O)c1cc2cc(S(O)(=O)=O)ccc2cc1
InChI:   InChI=1/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)

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Potential Energy
Epot(MMFF94)=21.8124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.3 g/mol  logS: -3.3629  SlogP: 0.2018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345173  Sterimol/B1: 2.56493  Sterimol/B2: 2.78826  Sterimol/B3: 2.98383
  Sterimol/B4: 6.05678  Sterimol/L: 13.2827 
 
 Surface and Volume Properties
  Accessible surface: 436.431  Positive charged surface: 155.302  Negative charged surface: 270.058  Volume: 209.875
  Hydrophobic surface: 196.678  Hydrophilic surface: 239.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs00011360
ACROSORGANICS-ZINC01700072