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ENAMINE-ZINC03215357

 MMsINC code: MMs01309513
Type: Neutral
Formula: C22H16F6N2O3S
SMILES:   S(=O)(=O)(NCc1ccccc1)c1cc(ccc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F
)(F)F
InChI:   InChI=1/C22H16F6N2O3S/c23-21(24,25)16-10-17(22(26,27)28)12-18(11-16)30-20(31)15-7-4-8-19(9-15)34(32,33)29-13-14-5-2-1-3-6-14/h1-12,29H,13H2,(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.9547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 502.435 g/mol  logS: -7.07385  SlogP: 6.3444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535142  Sterimol/B1: 3.41069  Sterimol/B2: 3.47572  Sterimol/B3: 5.69484
  Sterimol/B4: 8.3313  Sterimol/L: 19.5694 
 
 Surface and Volume Properties
  Accessible surface: 724.952  Positive charged surface: 259.877  Negative charged surface: 465.075  Volume: 394.375
  Hydrophobic surface: 400.342  Hydrophilic surface: 324.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.