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PUBCHEM-ZINC04992237

 MMsINC code: MMs03188093
Type: Neutral
Formula: C19H30N2O3S
SMILES:   S(=O)(=O)(NN=C1CCCCCCCCCCC1)c1ccc(OC)cc1
InChI:   InChI=1/C19H30N2O3S/c1-24-18-13-15-19(16-14-18)25(22,23)21-20-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-16,21H,2-12H2,1H3

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Potential Energy
Epot(MMFF94)=137.598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.526 g/mol  logS: -6.01668  SlogP: 4.6342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.335656  Sterimol/B1: 3.03925  Sterimol/B2: 4.49673  Sterimol/B3: 5.43281
  Sterimol/B4: 8.31523  Sterimol/L: 12.8708 
 
 Surface and Volume Properties
  Accessible surface: 595.84  Positive charged surface: 403.934  Negative charged surface: 191.905  Volume: 363.375
  Hydrophobic surface: 507.122  Hydrophilic surface: 88.718
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.