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ASINEX-ZINC02165129

 MMsINC code: MMs00264384
Type: Neutral
Formula: C6H8N2O4S2
SMILES:   S(=O)(=O)(N)c1cc(S(=O)(=O)N)ccc1
InChI:   InChI=1/C6H8N2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)

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Potential Energy
Epot(MMFF94)=-20.8389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.272 g/mol  logS: -1.8381  SlogP: -1.0186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125478  Sterimol/B1: 2.52131  Sterimol/B2: 2.72179  Sterimol/B3: 3.5005
  Sterimol/B4: 5.73421  Sterimol/L: 11.0109 
 
 Surface and Volume Properties
  Accessible surface: 384.885  Positive charged surface: 172.367  Negative charged surface: 212.517  Volume: 171.125
  Hydrophobic surface: 121.385  Hydrophilic surface: 263.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00264385
ASINEX-ZINC02165129