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ASINEX-ZINC00687773

 MMsINC code: MMs00148944
Type: Neutral
Formula: C15H16N2O4S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1
InChI:   InChI=1/C15H16N2O4S2/c18-15(17-7-9-21-10-8-17)12-4-1-2-5-13(12)16-23(19,20)14-6-3-11-22-14/h1-6,11,16H,7-10H2

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Potential Energy
Epot(MMFF94)=89.1277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.435 g/mol  logS: -3.34335  SlogP: 2.0213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153484  Sterimol/B1: 2.50525  Sterimol/B2: 2.92208  Sterimol/B3: 5.38221
  Sterimol/B4: 7.35829  Sterimol/L: 13.8645 
 
 Surface and Volume Properties
  Accessible surface: 536.691  Positive charged surface: 315.016  Negative charged surface: 221.675  Volume: 298.75
  Hydrophobic surface: 429.346  Hydrophilic surface: 107.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.