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ACROSORGANICS-ZINC01700072

 MMsINC code: MMs00011360
Type: Ionized
Formula: C10H6O6S2-2
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)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.2574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.284 g/mol  logS: -3.50594  SlogP: 0.648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304595  Sterimol/B1: 2.57275  Sterimol/B2: 3.20916  Sterimol/B3: 3.22752
  Sterimol/B4: 6.06011  Sterimol/L: 13.2681 
 
 Surface and Volume Properties
  Accessible surface: 423.89  Positive charged surface: 101.239  Negative charged surface: 311.579  Volume: 205.125
  Hydrophobic surface: 195.696  Hydrophilic surface: 228.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  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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Parent related molecule:


MMs00011359
ACROSORGANICS-ZINC01700072