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PUBCHEM-ZINC05997568

 MMsINC code: MMs03481562
Type: Neutral
Formula: C9H10N2O5S
SMILES:   S(=O)(=O)(NC(=O)N)c1ccccc1C(OC)=O
InChI:   InChI=1/C9H10N2O5S/c1-16-8(12)6-4-2-3-5-7(6)17(14,15)11-9(10)13/h2-5H,1H3,(H3,10,11,13)

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Potential Energy
Epot(MMFF94)=-19.9204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.254 g/mol  logS: -2.139  SlogP: -0.1698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228042  Sterimol/B1: 3.1996  Sterimol/B2: 3.38358  Sterimol/B3: 4.33541
  Sterimol/B4: 7.04793  Sterimol/L: 11.0785 
 
 Surface and Volume Properties
  Accessible surface: 424.455  Positive charged surface: 262.645  Negative charged surface: 161.81  Volume: 206.625
  Hydrophobic surface: 235.733  Hydrophilic surface: 188.722
 
 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: no related molecules available.