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ENAMINE-ZINC06936776

 MMsINC code: MMs01713614
Type: Neutral
Formula: C16H19NO2S2
SMILES:   S(c1cc(C)c(cc1)C)c1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C16H19NO2S2/c1-12-5-6-15(11-13(12)2)20-14-7-9-16(10-8-14)21(18,19)17(3)4/h5-11H,1-4H3

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Potential Energy
Epot(MMFF94)=54.0289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.465 g/mol  logS: -5.09154  SlogP: 3.70494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0615369  Sterimol/B1: 2.3521  Sterimol/B2: 3.62877  Sterimol/B3: 3.65699
  Sterimol/B4: 6.25855  Sterimol/L: 16.8473 
 
 Surface and Volume Properties
  Accessible surface: 555.979  Positive charged surface: 338.649  Negative charged surface: 217.33  Volume: 305.375
  Hydrophobic surface: 464.87  Hydrophilic surface: 91.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.