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CHEMSTAR-ZINC03158287

MMsINC code: MMs01084796

Type: Neutral
Formula: C19H20F3NO5S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C(O)(C(OCC)=O)C(F)(F)F)c1ccc(cc1)C
InChI:   InChI=1/C19H20F3NO5S/c1-4-28-17(24)18(25,19(20,21)22)14-7-9-15(10-8-14)23(3)29(26,27)16-11-5-13(2)6-12-16/h5-12,25H,4H2,1-3H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=107.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.431 g/mol  logS: -5.18561  SlogP: 3.86452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0784877  Sterimol/B1: 2.66892  Sterimol/B2: 4.64494  Sterimol/B3: 4.96972
  Sterimol/B4: 5.64798  Sterimol/L: 18.774 
 
 Surface and Volume Properties
  Accessible surface: 653.231  Positive charged surface: 356.369  Negative charged surface: 296.862  Volume: 363.75
  Hydrophobic surface: 443.638  Hydrophilic surface: 209.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.