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ENAMINE-ZINC03353540

 MMsINC code: MMs01391150
Type: Neutral
Formula: C17H19F3N2O4S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C17H19F3N2O4S2/c1-3-22(4-2)28(25,26)15-10-8-14(9-11-15)21-27(23,24)16-7-5-6-13(12-16)17(18,19)20/h5-12,21H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=49.5829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.475 g/mol  logS: -4.67125  SlogP: 3.8482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0975446  Sterimol/B1: 2.92942  Sterimol/B2: 3.95884  Sterimol/B3: 4.49138
  Sterimol/B4: 6.32326  Sterimol/L: 17.0096 
 
 Surface and Volume Properties
  Accessible surface: 621.987  Positive charged surface: 286.968  Negative charged surface: 335.019  Volume: 348.5
  Hydrophobic surface: 344.162  Hydrophilic surface: 277.825
 
 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.