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ASINEX-ZINC06681513

 MMsINC code: MMs00444971
Type: Neutral
Formula: C11H16N2O4S2
SMILES:   s1cc(S(=O)(=O)N2CC(OC(C2)C)C)cc1C(=O)N
InChI:   InChI=1/C11H16N2O4S2/c1-7-4-13(5-8(2)17-7)19(15,16)9-3-10(11(12)14)18-6-9/h3,6-8H,4-5H2,1-2H3,(H2,12,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=42.4856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.391 g/mol  logS: -2.30313  SlogP: 0.6449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244419  Sterimol/B1: 2.45269  Sterimol/B2: 3.70419  Sterimol/B3: 5.62348
  Sterimol/B4: 6.73921  Sterimol/L: 12.1742 
 
 Surface and Volume Properties
  Accessible surface: 466.021  Positive charged surface: 268.306  Negative charged surface: 197.714  Volume: 256.5
  Hydrophobic surface: 254.386  Hydrophilic surface: 211.635
 
 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.