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ASINEX-ZINC03288677

 MMsINC code: MMs00288494
Type: Neutral
Formula: C10H18N2O4S
SMILES:   S1(=O)(=O)CC(NC(=O)N2CCOCC2)(CC1)C
InChI:   InChI=1/C10H18N2O4S/c1-10(2-7-17(14,15)8-10)11-9(13)12-3-5-16-6-4-12/h2-8H2,1H3,(H,11,13)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=41.8335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.33 g/mol  logS: -0.57881  SlogP: -0.3946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158908  Sterimol/B1: 2.31106  Sterimol/B2: 2.34191  Sterimol/B3: 5.35044
  Sterimol/B4: 5.71383  Sterimol/L: 12.7344 
 
 Surface and Volume Properties
  Accessible surface: 446.054  Positive charged surface: 314.322  Negative charged surface: 131.733  Volume: 229.5
  Hydrophobic surface: 325.385  Hydrophilic surface: 120.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.