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ASINEX-ZINC06679967

 MMsINC code: MMs00443896
Type: Neutral
Formula: C12H18N2O4S2
SMILES:   s1c(C)c(S(=O)(=O)N2CC(OC(C2)C)C)cc1C(=O)N
InChI:   InChI=1/C12H18N2O4S2/c1-7-5-14(6-8(2)18-7)20(16,17)11-4-10(12(13)15)19-9(11)3/h4,7-8H,5-6H2,1-3H3,(H2,13,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=54.4798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.418 g/mol  logS: -2.61652  SlogP: 0.95332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0977807  Sterimol/B1: 2.35487  Sterimol/B2: 2.61274  Sterimol/B3: 4.6861
  Sterimol/B4: 7.46617  Sterimol/L: 14.4336 
 
 Surface and Volume Properties
  Accessible surface: 494.923  Positive charged surface: 284.79  Negative charged surface: 210.133  Volume: 269.625
  Hydrophobic surface: 289.932  Hydrophilic surface: 204.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.