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PUBCHEM-ZINC06615761

 MMsINC code: MMs03821002
Type: Neutral
Formula: C11H14F3NO3S
SMILES:   S(=O)(=O)(NCC(CO)(C)C)c1ccc(F)c(F)c1F
InChI:   InChI=1/C11H14F3NO3S/c1-11(2,6-16)5-15-19(17,18)8-4-3-7(12)9(13)10(8)14/h3-4,15-16H,5-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.0738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.297 g/mol  logS: -2.51057  SlogP: 1.4007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119086  Sterimol/B1: 3.5681  Sterimol/B2: 3.6871  Sterimol/B3: 4.12249
  Sterimol/B4: 5.54445  Sterimol/L: 12.9201 
 
 Surface and Volume Properties
  Accessible surface: 467.556  Positive charged surface: 238.484  Negative charged surface: 229.072  Volume: 234.5
  Hydrophobic surface: 316.44  Hydrophilic surface: 151.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.