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PUBCHEM-ZINC02875332

 MMsINC code: MMs02950258
Type: Neutral
Formula: C14H12F3NO2S2
SMILES:   S(C)c1ccc(S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)cc1
InChI:   InChI=1/C14H12F3NO2S2/c1-21-12-6-8-13(9-7-12)22(19,20)18-11-4-2-10(3-5-11)14(15,16)17/h2-9,18H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.1525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.381 g/mol  logS: -5.12467  SlogP: 4.5396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112771  Sterimol/B1: 3.12078  Sterimol/B2: 3.24975  Sterimol/B3: 4.23844
  Sterimol/B4: 7.29313  Sterimol/L: 14.5287 
 
 Surface and Volume Properties
  Accessible surface: 517.194  Positive charged surface: 207.681  Negative charged surface: 309.513  Volume: 275.5
  Hydrophobic surface: 287.165  Hydrophilic surface: 230.029
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.