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ASINEX-ZINC04184033

 MMsINC code: MMs00315870
Type: Neutral
Formula: C14H20N2O4S2
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(S(=O)(=O)NCC=C)cc1
InChI:   InChI=1/C14H20N2O4S2/c1-2-10-15-21(17,18)13-6-8-14(9-7-13)22(19,20)16-11-4-3-5-12-16/h2,6-9,15H,1,3-5,10-12H2

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Potential Energy
Epot(MMFF94)=-0.522139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.456 g/mol  logS: -2.3868  SlogP: 1.3255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715941  Sterimol/B1: 2.61428  Sterimol/B2: 2.93319  Sterimol/B3: 5.84893
  Sterimol/B4: 5.95918  Sterimol/L: 17.3715 
 
 Surface and Volume Properties
  Accessible surface: 565.029  Positive charged surface: 327.095  Negative charged surface: 237.935  Volume: 301.375
  Hydrophobic surface: 370.207  Hydrophilic surface: 194.822
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.