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ENAMINE-ZINC03324963

 MMsINC code: MMs01372523
Type: Neutral
Formula: C14H11F4NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1C)c1ccccc1C(F)(F)F
InChI:   InChI=1/C14H11F4NO2S/c1-9-8-10(15)6-7-12(9)19-22(20,21)13-5-3-2-4-11(13)14(16,17)18/h2-8,19H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.6438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.305 g/mol  logS: -4.55872  SlogP: 4.26522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146679  Sterimol/B1: 3.13537  Sterimol/B2: 3.55547  Sterimol/B3: 4.42476
  Sterimol/B4: 6.27032  Sterimol/L: 12.1686 
 
 Surface and Volume Properties
  Accessible surface: 472.163  Positive charged surface: 188.991  Negative charged surface: 283.172  Volume: 254.5
  Hydrophobic surface: 337.998  Hydrophilic surface: 134.165
 
 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.