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ENAMINE-ZINC05602577

 MMsINC code: MMs01626457
Type: Neutral
Formula: C16H19FN2O5S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)NC(COC)C)cc1)c1ccc(F)cc1
InChI:   InChI=1/C16H19FN2O5S2/c1-12(11-24-2)18-25(20,21)16-9-5-14(6-10-16)19-26(22,23)15-7-3-13(17)4-8-15/h3-10,12,18-19H,11H2,1-2H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=34.4984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.467 g/mol  logS: -3.64953  SlogP: 1.9397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0854969  Sterimol/B1: 2.94626  Sterimol/B2: 3.22171  Sterimol/B3: 5.26114
  Sterimol/B4: 6.42017  Sterimol/L: 17.3182 
 
 Surface and Volume Properties
  Accessible surface: 615.538  Positive charged surface: 354.071  Negative charged surface: 261.468  Volume: 335.875
  Hydrophobic surface: 439.204  Hydrophilic surface: 176.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.