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ENAMINE-ZINC03481282

 MMsINC code: MMs01466172
Type: Neutral
Formula: C22H18F2N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(OCC(=O)Nc1cc(F)c(F)cc1)=O
InChI:   InChI=1/C22H18F2N2O5S/c1-26(17-5-3-2-4-6-17)32(29,30)18-10-7-15(8-11-18)22(28)31-14-21(27)25-16-9-12-19(23)20(24)13-16/h2-13H,14H2,1H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=127.082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.457 g/mol  logS: -6.09042  SlogP: 3.5854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409084  Sterimol/B1: 2.08088  Sterimol/B2: 4.17299  Sterimol/B3: 4.38799
  Sterimol/B4: 7.45882  Sterimol/L: 21.5101 
 
 Surface and Volume Properties
  Accessible surface: 703.226  Positive charged surface: 361.935  Negative charged surface: 341.291  Volume: 388.625
  Hydrophobic surface: 564.742  Hydrophilic surface: 138.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.