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PUBCHEM-ZINC02674880

 MMsINC code: MMs02909099
Type: Neutral
Formula: C10H10F3NO5S
SMILES:   S(OCC(F)(F)F)(=O)(=O)c1ccc(NC(OC)=O)cc1
InChI:   InChI=1/C10H10F3NO5S/c1-18-9(15)14-7-2-4-8(5-3-7)20(16,17)19-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.8748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.252 g/mol  logS: -3.14203  SlogP: 2.5524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749666  Sterimol/B1: 3.22862  Sterimol/B2: 3.86508  Sterimol/B3: 4.03269
  Sterimol/B4: 5.36475  Sterimol/L: 15.7441 
 
 Surface and Volume Properties
  Accessible surface: 482.232  Positive charged surface: 225.022  Negative charged surface: 257.209  Volume: 229.875
  Hydrophobic surface: 232.033  Hydrophilic surface: 250.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.