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NCID-ZINC01720115

 MMsINC code: MMs02345108
Type: Neutral
Formula: C10H10N2O4S2
SMILES:   S(=O)(=O)(N)c1cc2c(cc(S(=O)(=O)N)cc2)cc1
InChI:   InChI=1/C10H10N2O4S2/c11-17(13,14)9-3-1-7-5-10(18(12,15)16)4-2-8(7)6-9/h1-6H,(H2,11,13,14)(H2,12,15,16)

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Potential Energy
Epot(MMFF94)=-5.32412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.332 g/mol  logS: -3.71598  SlogP: 0.1346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520182  Sterimol/B1: 2.50152  Sterimol/B2: 3.07429  Sterimol/B3: 3.09197
  Sterimol/B4: 5.96438  Sterimol/L: 14.2947 
 
 Surface and Volume Properties
  Accessible surface: 452.441  Positive charged surface: 201.133  Negative charged surface: 240.237  Volume: 217.75
  Hydrophobic surface: 187.344  Hydrophilic surface: 265.097
 
 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


MMs02345109
NCID-ZINC01720115