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CHEMDIV-ZINC04372262

 MMsINC code: MMs00935147
Type: Neutral
Formula: C16H18N2O4S2
SMILES:   s1ccc(S(=O)(=O)N2CCN(CC2)c2ccccc2)c1C(OC)=O
InChI:   InChI=1/C16H18N2O4S2/c1-22-16(19)15-14(7-12-23-15)24(20,21)18-10-8-17(9-11-18)13-5-3-2-4-6-13/h2-7,12H,8-11H2,1H3

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Potential Energy
Epot(MMFF94)=125.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -3.35743  SlogP: 2.0456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534052  Sterimol/B1: 2.31511  Sterimol/B2: 3.173  Sterimol/B3: 3.98314
  Sterimol/B4: 7.37381  Sterimol/L: 18.4427 
 
 Surface and Volume Properties
  Accessible surface: 578.679  Positive charged surface: 344.381  Negative charged surface: 234.298  Volume: 317.625
  Hydrophobic surface: 492.168  Hydrophilic surface: 86.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.