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PUBCHEM-ZINC05769573

 MMsINC code: MMs03381263
Type: Neutral
Formula: C10H7FN2O4S
SMILES:   S(=O)(=O)(N1C=CC(=O)NC1=O)c1ccc(F)cc1
InChI:   InChI=1/C10H7FN2O4S/c11-7-1-3-8(4-2-7)18(16,17)13-6-5-9(14)12-10(13)15/h1-6H,(H,12,14,15)

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Potential Energy
Epot(MMFF94)=-2.32115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.24 g/mol  logS: -2.64899  SlogP: 0.5799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157927  Sterimol/B1: 2.76923  Sterimol/B2: 2.96765  Sterimol/B3: 4.70423
  Sterimol/B4: 4.8208  Sterimol/L: 12.4775 
 
 Surface and Volume Properties
  Accessible surface: 412.051  Positive charged surface: 181.275  Negative charged surface: 230.776  Volume: 204.875
  Hydrophobic surface: 242.186  Hydrophilic surface: 169.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.