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ENAMINE-ZINC05885683

 MMsINC code: MMs01644394
Type: Neutral
Formula: C14H12F3NO2S2
SMILES:   S(C)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
InChI:   InChI=1/C14H12F3NO2S2/c1-21-12-8-4-3-7-11(12)18-22(19,20)13-9-5-2-6-10(13)14(15,16)17/h2-9,18H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9784 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: 0.110148  Sterimol/B1: 3.37622  Sterimol/B2: 3.67527  Sterimol/B3: 4.60777
  Sterimol/B4: 5.73911  Sterimol/L: 13.7323 
 
 Surface and Volume Properties
  Accessible surface: 489.459  Positive charged surface: 197.221  Negative charged surface: 292.238  Volume: 270.625
  Hydrophobic surface: 319.07  Hydrophilic surface: 170.389
 
 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.