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PUBCHEM-ZINC02531671

 MMsINC code: MMs02895250
Type: Neutral
Formula: C19H15F2NO2S2
SMILES:   S(Cc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChI:   InChI=1/C19H15F2NO2S2/c20-15-3-1-14(2-4-15)13-25-18-9-7-17(8-10-18)22-26(23,24)19-11-5-16(21)6-12-19/h1-12,22H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.5961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.462 g/mol  logS: -6.42598  SlogP: 5.3243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613395  Sterimol/B1: 3.47381  Sterimol/B2: 4.01169  Sterimol/B3: 4.55071
  Sterimol/B4: 6.43139  Sterimol/L: 17.6267 
 
 Surface and Volume Properties
  Accessible surface: 607.9  Positive charged surface: 281.536  Negative charged surface: 326.364  Volume: 334
  Hydrophobic surface: 493.549  Hydrophilic surface: 114.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.