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ASINEX-ZINC00911330

 MMsINC code: MMs00216575
Type: Neutral
Formula: C15H13NO4S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc2c(oc(C)c2C(=O)C)cc1
InChI:   InChI=1/C15H13NO4S2/c1-9(17)15-10(2)20-13-6-5-11(8-12(13)15)16-22(18,19)14-4-3-7-21-14/h3-8,16H,1-2H3

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Potential Energy
Epot(MMFF94)=58.7431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.404 g/mol  logS: -5.08272  SlogP: 3.80612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221822  Sterimol/B1: 3.34575  Sterimol/B2: 3.89609  Sterimol/B3: 5.34298
  Sterimol/B4: 5.6285  Sterimol/L: 12.9783 
 
 Surface and Volume Properties
  Accessible surface: 534.708  Positive charged surface: 246.534  Negative charged surface: 283.991  Volume: 282.875
  Hydrophobic surface: 405.848  Hydrophilic surface: 128.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.