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ENAMINE-ZINC03246724

 MMsINC code: MMs01328201
Type: Neutral
Formula: C25H25F3N2O5S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1cc(OC)cc(OC)c1)c1cc(ccc1)C(F)(F)F)c1cc(
ccc1C)C
InChI:   InChI=1/C25H25F3N2O5S/c1-16-8-9-17(2)23(10-16)36(32,33)30(20-7-5-6-18(11-20)25(26,27)28)15-24(31)29-19-12-21(34-3)14-22(13-19)35-4/h5-14H,15H2,1-4H3,(H,29,31)

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Potential Energy
Epot(MMFF94)=151.791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 522.544 g/mol  logS: -6.91043  SlogP: 5.48494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133697  Sterimol/B1: 2.35825  Sterimol/B2: 5.40753  Sterimol/B3: 7.12024
  Sterimol/B4: 7.56025  Sterimol/L: 18.8836 
 
 Surface and Volume Properties
  Accessible surface: 779.011  Positive charged surface: 441.926  Negative charged surface: 337.084  Volume: 449.5
  Hydrophobic surface: 586.266  Hydrophilic surface: 192.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.