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ACROSORGANICS-ZINC00401238

 MMsINC code: MMs00007548
Type: Neutral
Formula: C12H10O5S
SMILES:   S(=O)(c1ccc(O)cc1O)c1ccc(O)cc1O
InChI:   InChI=1/C12H10O5S/c13-7-1-3-11(9(15)5-7)18(17)12-4-2-8(14)6-10(12)16/h1-6,13-16H

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Potential Energy
Epot(MMFF94)=78.3177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.273 g/mol  logS: -2.05111  SlogP: 1.6757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118636  Sterimol/B1: 3.01219  Sterimol/B2: 3.02828  Sterimol/B3: 4.54206
  Sterimol/B4: 5.24944  Sterimol/L: 13.5468 
 
 Surface and Volume Properties
  Accessible surface: 430.283  Positive charged surface: 249.942  Negative charged surface: 180.341  Volume: 222
  Hydrophobic surface: 221.209  Hydrophilic surface: 209.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.