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ASINEX-ZINC00374273

 MMsINC code: MMs00126004
Type: Neutral
Formula: C8H16N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)N1CCOCC1
InChI:   InChI=1/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.5518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.292 g/mol  logS: 0.16959  SlogP: -1.1044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188925  Sterimol/B1: 2.32003  Sterimol/B2: 3.45952  Sterimol/B3: 3.61096
  Sterimol/B4: 4.84499  Sterimol/L: 10.5372 
 
 Surface and Volume Properties
  Accessible surface: 396.905  Positive charged surface: 320.041  Negative charged surface: 76.8639  Volume: 205
  Hydrophobic surface: 314.77  Hydrophilic surface: 82.135
 
 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.