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NCID-ZINC01720115

 MMsINC code: MMs02345109
Type: Ionized
Formula: C10H8N2O4S2-2
SMILES:   S(=O)([O-])(=[NH])c1cc2c(cc(S(=O)([O-])=[NH])cc2)cc1
InChI:   InChI=1/C10H8N2O4S2/c11-17(13,14)9-3-1-7-5-10(18(12,15)16)4-2-8(7)6-9/h1-6H,(H2-2,11,12,13,14,15,16)/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.5446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.316 g/mol  logS: -3.76476  SlogP: 0.783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506529  Sterimol/B1: 2.52031  Sterimol/B2: 3.23357  Sterimol/B3: 3.23904
  Sterimol/B4: 5.9601  Sterimol/L: 13.7079 
 
 Surface and Volume Properties
  Accessible surface: 439.838  Positive charged surface: 142.034  Negative charged surface: 288.36  Volume: 218
  Hydrophobic surface: 230.293  Hydrophilic surface: 209.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 6  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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MMs02345108
NCID-ZINC01720115