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ENAMINE-ZINC03424965

 MMsINC code: MMs01433844
Type: Neutral
Formula: C18H16F4N2O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)COc1c(F)c(F)cc(F)c1F)c1ccccc1
InChI:   InChI=1/C18H16F4N2O4S/c19-13-10-14(20)17(22)18(16(13)21)28-11-15(25)23-6-8-24(9-7-23)29(26,27)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2

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Potential Energy
Epot(MMFF94)=89.453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.394 g/mol  logS: -4.5385  SlogP: 2.1549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633256  Sterimol/B1: 2.77978  Sterimol/B2: 2.89228  Sterimol/B3: 4.95985
  Sterimol/B4: 6.93221  Sterimol/L: 17.8753 
 
 Surface and Volume Properties
  Accessible surface: 629.779  Positive charged surface: 318.258  Negative charged surface: 311.521  Volume: 342.625
  Hydrophobic surface: 535.51  Hydrophilic surface: 94.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.