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ENAMINE-ZINC01794595

 MMsINC code: MMs01244420
Type: Neutral
Formula: C15H18N2O3S2
SMILES:   S1\C(=N\CC=C)\N(S(=O)(=O)c2ccc(cc2)C)C(=O)C1CC
InChI:   InChI=1/C15H18N2O3S2/c1-4-10-16-15-17(14(18)13(5-2)21-15)22(19,20)12-8-6-11(3)7-9-12/h4,6-9,13H,1,5,10H2,2-3H3/b16-15-/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=8.61608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.452 g/mol  logS: -4.88196  SlogP: 2.57972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103668  Sterimol/B1: 2.21102  Sterimol/B2: 2.41984  Sterimol/B3: 5.52159
  Sterimol/B4: 9.85515  Sterimol/L: 14.8895 
 
 Surface and Volume Properties
  Accessible surface: 569.208  Positive charged surface: 316.276  Negative charged surface: 252.933  Volume: 303.375
  Hydrophobic surface: 383.643  Hydrophilic surface: 185.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.