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ENAMINE-ZINC03222043

 MMsINC code: MMs01314015
Type: Neutral
Formula: C25H25F3N2O3S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(cc1C)C)c1cc(ccc1)C(F)(F)F)c1cc(ccc1
C)C
InChI:   InChI=1/C25H25F3N2O3S/c1-16-9-11-22(19(4)12-16)29-24(31)15-30(21-7-5-6-20(14-21)25(26,27)28)34(32,33)23-13-17(2)8-10-18(23)3/h5-14H,15H2,1-4H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.546 g/mol  logS: -7.44406  SlogP: 6.08458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921922  Sterimol/B1: 2.95548  Sterimol/B2: 5.47742  Sterimol/B3: 6.53626
  Sterimol/B4: 8.72795  Sterimol/L: 16.4502 
 
 Surface and Volume Properties
  Accessible surface: 732.041  Positive charged surface: 360.421  Negative charged surface: 371.62  Volume: 432.25
  Hydrophobic surface: 566.726  Hydrophilic surface: 165.315
 
 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: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.