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ENAMINE-ZINC03284044

 MMsINC code: MMs01349575
Type: Neutral
Formula: C18H18N2O4S2
SMILES:   s1c2c(nc1COC(=O)CN(S(=O)(=O)c1ccc(cc1)C)C)cccc2
InChI:   InChI=1/C18H18N2O4S2/c1-13-7-9-14(10-8-13)26(22,23)20(2)11-18(21)24-12-17-19-15-5-3-4-6-16(15)25-17/h3-10H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=61.5868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.484 g/mol  logS: -4.46536  SlogP: 3.23502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0654993  Sterimol/B1: 2.05076  Sterimol/B2: 3.2158  Sterimol/B3: 5.17141
  Sterimol/B4: 9.65925  Sterimol/L: 17.2907 
 
 Surface and Volume Properties
  Accessible surface: 636.717  Positive charged surface: 362.928  Negative charged surface: 273.789  Volume: 345.75
  Hydrophobic surface: 520.987  Hydrophilic surface: 115.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.