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ACROSORGANICS-ZINC00056964

 MMsINC code: MMs00003353
Type: Neutral
Formula: C12H10O4S
SMILES:   S(=O)(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChI:   InChI=1/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

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Potential Energy
Epot(MMFF94)=51.5167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.274 g/mol  logS: -2.62553  SlogP: 1.9306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129999  Sterimol/B1: 2.42062  Sterimol/B2: 2.99827  Sterimol/B3: 4.76075
  Sterimol/B4: 4.82362  Sterimol/L: 13.7753 
 
 Surface and Volume Properties
  Accessible surface: 433.594  Positive charged surface: 212.965  Negative charged surface: 220.629  Volume: 214.25
  Hydrophobic surface: 273.788  Hydrophilic surface: 159.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.