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AURORAFEINCHEMIE-ZINC02559125

 MMsINC code: MMs00454748
Type: Neutral
Formula: C7H5NO6S4
SMILES:   S1c2c(NC1=S)c(S(O)(=O)=O)cc(S(O)(=O)=O)c2
InChI:   InChI=1/C7H5NO6S4/c9-17(10,11)3-1-4-6(8-7(15)16-4)5(2-3)18(12,13)14/h1-2H,(H,8,15)(H,9,10,11)(H,12,13,14)

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Potential Energy
Epot(MMFF94)=6.12431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.382 g/mol  logS: -3.55256  SlogP: -0.1489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520016  Sterimol/B1: 2.55079  Sterimol/B2: 3.56098  Sterimol/B3: 3.6986
  Sterimol/B4: 6.99583  Sterimol/L: 13.0394 
 
 Surface and Volume Properties
  Accessible surface: 446.938  Positive charged surface: 123.101  Negative charged surface: 323.837  Volume: 211.375
  Hydrophobic surface: 70.4157  Hydrophilic surface: 376.5223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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


MMs00454749
AURORAFEINCHEMIE-ZINC02559125