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NCID-ZINC01681595

 MMsINC code: MMs02315470
Type: Neutral
Formula: C7H10N2O4S2
SMILES:   S(=O)(=O)(N)c1cc(S(=O)(=O)N)ccc1C
InChI:   InChI=1/C7H10N2O4S2/c1-5-2-3-6(14(8,10)11)4-7(5)15(9,12)13/h2-4H,1H3,(H2,8,10,11)(H2,9,12,13)

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Potential Energy
Epot(MMFF94)=-10.8745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.299 g/mol  logS: -1.99857  SlogP: -0.71018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109546  Sterimol/B1: 3.01002  Sterimol/B2: 3.01437  Sterimol/B3: 3.31247
  Sterimol/B4: 5.98914  Sterimol/L: 10.8689 
 
 Surface and Volume Properties
  Accessible surface: 401.017  Positive charged surface: 189.468  Negative charged surface: 211.55  Volume: 188.125
  Hydrophobic surface: 149.736  Hydrophilic surface: 251.281
 
 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


MMs02315471
NCID-ZINC01681595