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ENAMINE-ZINC04949243

 MMsINC code: MMs01569421
Type: Neutral
Formula: C18H18N2O3S2
SMILES:   s1c2c(nc1-c1cc(S(=O)(=O)N3CCOCC3)ccc1C)cccc2
InChI:   InChI=1/C18H18N2O3S2/c1-13-6-7-14(25(21,22)20-8-10-23-11-9-20)12-15(13)18-19-16-4-2-3-5-17(16)24-18/h2-7,12H,8-11H2,1H3

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Potential Energy
Epot(MMFF94)=76.4853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.485 g/mol  logS: -5.43461  SlogP: 3.29262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420591  Sterimol/B1: 2.14725  Sterimol/B2: 2.57953  Sterimol/B3: 4.99851
  Sterimol/B4: 7.89094  Sterimol/L: 17.3668 
 
 Surface and Volume Properties
  Accessible surface: 595.312  Positive charged surface: 352.841  Negative charged surface: 242.472  Volume: 330.125
  Hydrophobic surface: 513.376  Hydrophilic surface: 81.936
 
 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.