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MAYBRIDGE-ZINC00109621

 MMsINC code: MMs02133177
Type: Neutral
Formula: C10H7F3N2O2S2
SMILES:   s1c(ccc1S(=O)(=O)N)-c1nccc(c1)C(F)(F)F
InChI:   InChI=1/C10H7F3N2O2S2/c11-10(12,13)6-3-4-15-7(5-6)8-1-2-9(18-8)19(14,16)17/h1-5H,(H2,14,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.1109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.304 g/mol  logS: -3.73889  SlogP: 2.7878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347659  Sterimol/B1: 2.70724  Sterimol/B2: 2.86609  Sterimol/B3: 3.15981
  Sterimol/B4: 5.83782  Sterimol/L: 13.8633 
 
 Surface and Volume Properties
  Accessible surface: 460.918  Positive charged surface: 172.825  Negative charged surface: 288.093  Volume: 222.5
  Hydrophobic surface: 207.894  Hydrophilic surface: 253.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02133178
MAYBRIDGE-ZINC00109621