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ASINEX-ZINC06679861

 MMsINC code: MMs00443853
Type: Neutral
Formula: C13H14N2O4S2
SMILES:   s1c(C)c(S(=O)(=O)Nc2ccccc2OC)cc1C(=O)N
InChI:   InChI=1/C13H14N2O4S2/c1-8-12(7-11(20-8)13(14)16)21(17,18)15-9-5-3-4-6-10(9)19-2/h3-7,15H,1-2H3,(H2,14,16)

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Potential Energy
Epot(MMFF94)=53.7343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.397 g/mol  logS: -3.46928  SlogP: 1.96482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284394  Sterimol/B1: 2.31737  Sterimol/B2: 3.72478  Sterimol/B3: 5.14775
  Sterimol/B4: 8.08444  Sterimol/L: 13.0556 
 
 Surface and Volume Properties
  Accessible surface: 511.543  Positive charged surface: 285.191  Negative charged surface: 226.353  Volume: 272.25
  Hydrophobic surface: 328.584  Hydrophilic surface: 182.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.