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ENAMINE-ZINC07061855

 MMsINC code: MMs01721880
Type: Neutral
Formula: C14H11F4NO2S
SMILES:   S(=O)(=O)(NCc1ccccc1F)c1ccccc1C(F)(F)F
InChI:   InChI=1/C14H11F4NO2S/c15-12-7-3-1-5-10(12)9-19-22(20,21)13-8-4-2-6-11(13)14(16,17)18/h1-8,19H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.6495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.305 g/mol  logS: -4.34229  SlogP: 3.9009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122172  Sterimol/B1: 3.30199  Sterimol/B2: 3.45384  Sterimol/B3: 4.7488
  Sterimol/B4: 5.42253  Sterimol/L: 14.0829 
 
 Surface and Volume Properties
  Accessible surface: 481.259  Positive charged surface: 204.004  Negative charged surface: 277.254  Volume: 259.75
  Hydrophobic surface: 345.056  Hydrophilic surface: 136.203
 
 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.