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ASINEX-ZINC06681487

 MMsINC code: MMs00444950
Type: Neutral
Formula: C11H10N2O4S2
SMILES:   s1cc(S(=O)(=O)Nc2ccc(O)cc2)cc1C(=O)N
InChI:   InChI=1/C11H10N2O4S2/c12-11(15)10-5-9(6-18-10)19(16,17)13-7-1-3-8(14)4-2-7/h1-6,13-14H,(H2,12,15)

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Potential Energy
Epot(MMFF94)=29.6104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.343 g/mol  logS: -2.74356  SlogP: 1.3534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193829  Sterimol/B1: 2.4614  Sterimol/B2: 5.02131  Sterimol/B3: 5.26185
  Sterimol/B4: 5.32522  Sterimol/L: 11.9442 
 
 Surface and Volume Properties
  Accessible surface: 464.591  Positive charged surface: 223.752  Negative charged surface: 240.839  Volume: 239.25
  Hydrophobic surface: 225.871  Hydrophilic surface: 238.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.