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ASINEX-ZINC00832357

 MMsINC code: MMs00185812
Type: Neutral
Formula: C13H10Br2O4S2
SMILES:   BrC(Br)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChI:   InChI=1/C13H10Br2O4S2/c14-13(15,20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H

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Potential Energy
Epot(MMFF94)=57.7595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.159 g/mol  logS: -5.81554  SlogP: 3.7552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123333  Sterimol/B1: 2.18608  Sterimol/B2: 3.77055  Sterimol/B3: 3.77185
  Sterimol/B4: 5.42485  Sterimol/L: 14.4844 
 
 Surface and Volume Properties
  Accessible surface: 502.028  Positive charged surface: 174.751  Negative charged surface: 327.277  Volume: 296.5
  Hydrophobic surface: 316.502  Hydrophilic surface: 185.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.