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PUBCHEM-ZINC00692535

 MMsINC code: MMs02729288
Type: Neutral
Formula: C19H23NO2S2
SMILES:   S1CCN(S(=O)(=O)c2ccc(cc2)C)C1c1ccc(cc1)C(C)C
InChI:   InChI=1/C19H23NO2S2/c1-14(2)16-6-8-17(9-7-16)19-20(12-13-23-19)24(21,22)18-10-4-15(3)5-11-18/h4-11,14,19H,12-13H2,1-3H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=48.2283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.53 g/mol  logS: -6.06607  SlogP: 4.65022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857536  Sterimol/B1: 2.43396  Sterimol/B2: 3.86065  Sterimol/B3: 4.58164
  Sterimol/B4: 7.75024  Sterimol/L: 17.6033 
 
 Surface and Volume Properties
  Accessible surface: 604.395  Positive charged surface: 360.966  Negative charged surface: 243.428  Volume: 345.75
  Hydrophobic surface: 481.958  Hydrophilic surface: 122.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.