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ENAMINE-ZINC04647262

 MMsINC code: MMs01550792
Type: Neutral
Formula: C19H18N2O3S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C19H18N2O3S2/c1-14(15-8-3-2-4-9-15)20-19(22)16-10-5-6-11-17(16)21-26(23,24)18-12-7-13-25-18/h2-14,21H,1H3,(H,20,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=75.8823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.496 g/mol  logS: -5.25297  SlogP: 4.1354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121846  Sterimol/B1: 2.6888  Sterimol/B2: 4.06489  Sterimol/B3: 5.11157
  Sterimol/B4: 7.72547  Sterimol/L: 16.032 
 
 Surface and Volume Properties
  Accessible surface: 610.921  Positive charged surface: 300.444  Negative charged surface: 310.477  Volume: 342.875
  Hydrophobic surface: 497.965  Hydrophilic surface: 112.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.