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CHEMDIV-ZINC06800657

 MMsINC code: MMs01029188
Type: Neutral
Formula: C11H8BrF2N3O2S
SMILES:   Brc1cc(S(=O)(=O)Nc2ccc(F)cc2F)c(nc1)N
InChI:   InChI=1/C11H8BrF2N3O2S/c12-6-3-10(11(15)16-5-6)20(18,19)17-9-2-1-7(13)4-8(9)14/h1-5,17H,(H2,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.6807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.17 g/mol  logS: -3.50107  SlogP: 2.5053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155977  Sterimol/B1: 2.92386  Sterimol/B2: 3.78902  Sterimol/B3: 4.6319
  Sterimol/B4: 6.26278  Sterimol/L: 11.9775 
 
 Surface and Volume Properties
  Accessible surface: 469.68  Positive charged surface: 183.816  Negative charged surface: 285.864  Volume: 247.625
  Hydrophobic surface: 326.599  Hydrophilic surface: 143.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.