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ASINEX-ZINC06681455

 MMsINC code: MMs00444925
Type: Neutral
Formula: C15H18N2O5S2
SMILES:   s1cc(S(=O)(=O)N(CCOC)C)cc1C(=O)Nc1ccccc1O
InChI:   InChI=1/C15H18N2O5S2/c1-17(7-8-22-2)24(20,21)11-9-14(23-10-11)15(19)16-12-5-3-4-6-13(12)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=71.01 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.45 g/mol  logS: -2.85579  SlogP: 1.9729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525278  Sterimol/B1: 2.65924  Sterimol/B2: 2.92493  Sterimol/B3: 4.5688
  Sterimol/B4: 6.7325  Sterimol/L: 17.8927 
 
 Surface and Volume Properties
  Accessible surface: 602.491  Positive charged surface: 380.548  Negative charged surface: 221.943  Volume: 319.625
  Hydrophobic surface: 471.15  Hydrophilic surface: 131.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.