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ENAMINE-ZINC03228186

 MMsINC code: MMs01317486
Type: Neutral
Formula: C24H20F6N2O3S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccccc1C(F)(F)F)c1cc(ccc1)C(F)(F)F)c1cc(
ccc1C)C
InChI:   InChI=1/C24H20F6N2O3S/c1-15-10-11-16(2)21(12-15)36(34,35)32(18-7-5-6-17(13-18)23(25,26)27)14-22(33)31-20-9-4-3-8-19(20)24(28,29)30/h3-13H,14H2,1-2H3,(H,31,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 530.489 g/mol  logS: -7.86622  SlogP: 6.79804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191978  Sterimol/B1: 2.12044  Sterimol/B2: 3.91309  Sterimol/B3: 7.66868
  Sterimol/B4: 7.76791  Sterimol/L: 16.923 
 
 Surface and Volume Properties
  Accessible surface: 721.547  Positive charged surface: 294.771  Negative charged surface: 426.776  Volume: 424.75
  Hydrophobic surface: 472.082  Hydrophilic surface: 249.465
 
 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.