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ENAMINE-ZINC05602077

 MMsINC code: MMs01626272
Type: Neutral
Formula: C12H10F2N2O4S2
SMILES:   S(=O)(=O)(Nc1cc(S(=O)(=O)N)ccc1)c1ccc(F)cc1F
InChI:   InChI=1/C12H10F2N2O4S2/c13-8-4-5-12(11(14)6-8)22(19,20)16-9-2-1-3-10(7-9)21(15,17)18/h1-7,16H,(H2,15,17,18)

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Potential Energy
Epot(MMFF94)=9.50422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.35 g/mol  logS: -3.86329  SlogP: 1.413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202226  Sterimol/B1: 2.47804  Sterimol/B2: 2.93584  Sterimol/B3: 5.69053
  Sterimol/B4: 6.54861  Sterimol/L: 13.0172 
 
 Surface and Volume Properties
  Accessible surface: 480.852  Positive charged surface: 210.53  Negative charged surface: 270.321  Volume: 255
  Hydrophobic surface: 275.531  Hydrophilic surface: 205.321
 
 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


MMs01626273
ENAMINE-ZINC05602077