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ENAMINE-ZINC03566816

 MMsINC code: MMs01511882
Type: Neutral
Formula: C19H19F3N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1C)C(=O)Nc1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C19H19F3N2O4S/c1-13-2-3-14(12-17(13)29(26,27)24-8-10-28-11-9-24)18(25)23-16-6-4-15(5-7-16)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=119.347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.431 g/mol  logS: -4.77693  SlogP: 3.59852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268633  Sterimol/B1: 2.57272  Sterimol/B2: 3.18889  Sterimol/B3: 4.02067
  Sterimol/B4: 7.33045  Sterimol/L: 19.4333 
 
 Surface and Volume Properties
  Accessible surface: 627.513  Positive charged surface: 325.542  Negative charged surface: 301.971  Volume: 352.25
  Hydrophobic surface: 422.784  Hydrophilic surface: 204.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.