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ENAMINE-ZINC03343431

 MMsINC code: MMs01384548
Type: Neutral
Formula: C14H17F3N2O5S
SMILES:   S(=O)(=O)(NC(C(C)C)C(OCC(=O)N)=O)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H17F3N2O5S/c1-8(2)12(13(21)24-7-11(18)20)19-25(22,23)10-5-3-4-9(6-10)14(15,16)17/h3-6,8,12,19H,7H2,1-2H3,(H2,18,20)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=51.1622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.359 g/mol  logS: -3.69689  SlogP: 1.3483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147854  Sterimol/B1: 2.09367  Sterimol/B2: 3.29672  Sterimol/B3: 5.65358
  Sterimol/B4: 8.20228  Sterimol/L: 15.1806 
 
 Surface and Volume Properties
  Accessible surface: 567.508  Positive charged surface: 272.161  Negative charged surface: 295.348  Volume: 301.25
  Hydrophobic surface: 228.864  Hydrophilic surface: 338.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.