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ASINEX-ZINC01138867

 MMsINC code: MMs00229300
Type: Neutral
Formula: C9H5F4N3O2S2
SMILES:   s1c(nnc1NS(=O)(=O)c1ccc(F)cc1)C(F)(F)F
InChI:   InChI=1/C9H5F4N3O2S2/c10-5-1-3-6(4-2-5)20(17,18)16-8-15-14-7(19-8)9(11,12)13/h1-4H,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.7432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.282 g/mol  logS: -4.16828  SlogP: 2.8083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108122  Sterimol/B1: 2.29069  Sterimol/B2: 3.82293  Sterimol/B3: 4.85009
  Sterimol/B4: 5.54958  Sterimol/L: 12.9072 
 
 Surface and Volume Properties
  Accessible surface: 453.923  Positive charged surface: 127.788  Negative charged surface: 326.135  Volume: 220
  Hydrophobic surface: 227.132  Hydrophilic surface: 226.791
 
 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.