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ASINEX-ZINC00423258

 MMsINC code: MMs00134611
Type: Neutral
Formula: C11H10N2O3S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccc(cc1)C(=O)N
InChI:   InChI=1/C11H10N2O3S2/c12-11(14)8-3-5-9(6-4-8)13-18(15,16)10-2-1-7-17-10/h1-7,13H,(H2,12,14)

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Potential Energy
Epot(MMFF94)=40.4883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.344 g/mol  logS: -3.26385  SlogP: 1.6478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131071  Sterimol/B1: 2.39524  Sterimol/B2: 2.58156  Sterimol/B3: 4.46985
  Sterimol/B4: 6.52312  Sterimol/L: 13.1428 
 
 Surface and Volume Properties
  Accessible surface: 454.724  Positive charged surface: 212.994  Negative charged surface: 241.73  Volume: 230.875
  Hydrophobic surface: 263.494  Hydrophilic surface: 191.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.