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ASINEX-ZINC04015759

 MMsINC code: MMs00296528
Type: Neutral
Formula: C6H14N2O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)C)CC1)C
InChI:   InChI=1/C6H14N2O4S2/c1-13(9,10)7-3-5-8(6-4-7)14(2,11)12/h3-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=23.2757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.32 g/mol  logS: 0.49254  SlogP: -1.4768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116756  Sterimol/B1: 2.98662  Sterimol/B2: 3.58475  Sterimol/B3: 3.58704
  Sterimol/B4: 3.82138  Sterimol/L: 13.0825 
 
 Surface and Volume Properties
  Accessible surface: 398.199  Positive charged surface: 238.75  Negative charged surface: 159.449  Volume: 194.25
  Hydrophobic surface: 275.26  Hydrophilic surface: 122.939
 
 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.