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ACROSORGANICS-ZINC01687254

 MMsINC code: MMs00010953
Type: Neutral
Formula: C10H8O7S2
SMILES:   S(O)(=O)(=O)c1cc2cc(S(O)(=O)=O)ccc2cc1O
InChI:   InChI=1/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)

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Potential Energy
Epot(MMFF94)=27.5623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.299 g/mol  logS: -3.00095  SlogP: -0.0926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310439  Sterimol/B1: 2.55807  Sterimol/B2: 2.85293  Sterimol/B3: 3.29777
  Sterimol/B4: 6.35132  Sterimol/L: 13.7206 
 
 Surface and Volume Properties
  Accessible surface: 449.093  Positive charged surface: 174.12  Negative charged surface: 263.902  Volume: 216.125
  Hydrophobic surface: 172.186  Hydrophilic surface: 276.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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


MMs00010954
ACROSORGANICS-ZINC01687254