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CHEMBLOCK-ZINC04594484

 MMsINC code: MMs00560614
Type: Neutral
Formula: C11H12FNO7S2
SMILES:   S(Oc1ccc(F)cc1)(=O)(=O)NC(OC1CCS(=O)(=O)C1)=O
InChI:   InChI=1/C11H12FNO7S2/c12-8-1-3-9(4-2-8)20-22(17,18)13-11(14)19-10-5-6-21(15,16)7-10/h1-4,10H,5-7H2,(H,13,14)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=-14.1775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.347 g/mol  logS: -2.77642  SlogP: 0.3626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407093  Sterimol/B1: 2.58312  Sterimol/B2: 3.53505  Sterimol/B3: 4.56253
  Sterimol/B4: 4.97536  Sterimol/L: 15.7324 
 
 Surface and Volume Properties
  Accessible surface: 519.29  Positive charged surface: 234.768  Negative charged surface: 284.522  Volume: 258.875
  Hydrophobic surface: 321.503  Hydrophilic surface: 197.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.