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ENAMINE-ZINC03179891

 MMsINC code: MMs01297237
Type: Neutral
Formula: C23H17F6NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OC(=O)c1ccc(cc1)C)(C(F)(F)F)C(F)(F)F)
c1ccccc1
InChI:   InChI=1/C23H17F6NO4S/c1-15-7-9-16(10-8-15)20(31)34-21(22(24,25)26,23(27,28)29)17-11-13-18(14-12-17)30-35(32,33)19-5-3-2-4-6-19/h2-14,30H,1H3

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Potential Energy
Epot(MMFF94)=119.408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 517.446 g/mol  logS: -7.83625  SlogP: 7.12402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12707  Sterimol/B1: 3.7278  Sterimol/B2: 3.79818  Sterimol/B3: 4.84332
  Sterimol/B4: 9.06318  Sterimol/L: 16.7113 
 
 Surface and Volume Properties
  Accessible surface: 678.168  Positive charged surface: 291.373  Negative charged surface: 386.795  Volume: 402.75
  Hydrophobic surface: 444.583  Hydrophilic surface: 233.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.