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ENAMINE-ZINC02616210

 MMsINC code: MMs01252542
Type: Neutral
Formula: C16H18N2O4S2
SMILES:   S(=O)(=O)(N(C)C)c1ccc(NS(=O)(=O)\C=C\c2ccccc2)cc1
InChI:   InChI=1/C16H18N2O4S2/c1-18(2)24(21,22)16-10-8-15(9-11-16)17-23(19,20)13-12-14-6-4-3-5-7-14/h3-13,17H,1-2H3/b13-12+

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Potential Energy
Epot(MMFF94)=42.7002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -3.17689  SlogP: 2.3495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532626  Sterimol/B1: 2.12821  Sterimol/B2: 3.00655  Sterimol/B3: 5.31722
  Sterimol/B4: 7.32298  Sterimol/L: 17.4921 
 
 Surface and Volume Properties
  Accessible surface: 596.184  Positive charged surface: 338.163  Negative charged surface: 258.021  Volume: 319.5
  Hydrophobic surface: 452.861  Hydrophilic surface: 143.323
 
 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.