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ENAMINE-ZINC03884797

 MMsINC code: MMs01526828
Type: Neutral
Formula: C15H12N2O6S4
SMILES:   s1cccc1S(=O)(=O)Nc1cc(cc(NS(=O)(=O)c2sccc2)c1)C(O)=O
InChI:   InChI=1/C15H12N2O6S4/c18-15(19)10-7-11(16-26(20,21)13-3-1-5-24-13)9-12(8-10)17-27(22,23)14-4-2-6-25-14/h1-9,16-17H,(H,18,19)

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Potential Energy
Epot(MMFF94)=58.0216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.533 g/mol  logS: -4.60798  SlogP: 3.1094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196148  Sterimol/B1: 2.71514  Sterimol/B2: 3.64987  Sterimol/B3: 5.87867
  Sterimol/B4: 7.97722  Sterimol/L: 14.7171 
 
 Surface and Volume Properties
  Accessible surface: 612.103  Positive charged surface: 252.912  Negative charged surface: 359.191  Volume: 335.625
  Hydrophobic surface: 356.133  Hydrophilic surface: 255.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs01526829
ENAMINE-ZINC03884797