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CHEMBLOCK-ZINC00117047

 MMsINC code: MMs00499977
Type: Neutral
Formula: C13H13FN2O4S2
SMILES:   S(=O)(=O)(Nc1cccc(F)c1C)c1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C13H13FN2O4S2/c1-9-12(14)3-2-4-13(9)16-22(19,20)11-7-5-10(6-8-11)21(15,17)18/h2-8,16H,1H3,(H2,15,17,18)

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Potential Energy
Epot(MMFF94)=23.0225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.387 g/mol  logS: -3.72878  SlogP: 1.58232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207809  Sterimol/B1: 2.22925  Sterimol/B2: 3.88265  Sterimol/B3: 5.8831
  Sterimol/B4: 6.57884  Sterimol/L: 13.1851 
 
 Surface and Volume Properties
  Accessible surface: 508.083  Positive charged surface: 237.113  Negative charged surface: 270.97  Volume: 271.125
  Hydrophobic surface: 302.643  Hydrophilic surface: 205.44
 
 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


MMs00499978
CHEMBLOCK-ZINC00117047