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CHEMSTAR-ZINC03158286

 MMsINC code: MMs01084795
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-/m0/s1

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Potential Energy
Epot(MMFF94)=106.008 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: 0.087783  Sterimol/B1: 3.11464  Sterimol/B2: 3.7976  Sterimol/B3: 4.4875
  Sterimol/B4: 8.50113  Sterimol/L: 16.0772 
 
 Surface and Volume Properties
  Accessible surface: 648.222  Positive charged surface: 352.864  Negative charged surface: 295.358  Volume: 361.75
  Hydrophobic surface: 437.572  Hydrophilic surface: 210.65
 
 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.