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ASINEX-ZINC06681626

 MMsINC code: MMs00445093
Type: Neutral
Formula: C8H12N2O3S2
SMILES:   s1cc(S(=O)(=O)NC)cc1C(=O)NCC
InChI:   InChI=1/C8H12N2O3S2/c1-3-10-8(11)7-4-6(5-14-7)15(12,13)9-2/h4-5,9H,3H2,1-2H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=-1.85818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.327 g/mol  logS: -1.50287  SlogP: 0.4059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06207  Sterimol/B1: 3.03092  Sterimol/B2: 3.37636  Sterimol/B3: 3.78372
  Sterimol/B4: 4.63019  Sterimol/L: 14.2339 
 
 Surface and Volume Properties
  Accessible surface: 441.177  Positive charged surface: 255.754  Negative charged surface: 185.423  Volume: 208
  Hydrophobic surface: 279.308  Hydrophilic surface: 161.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.