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ENAMINE-ZINC03355937

 MMsINC code: MMs01392670
Type: Neutral
Formula: C10H10F3NO5S
SMILES:   S(=O)(=O)(NCCC(O)=O)c1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C10H10F3NO5S/c11-10(12,13)19-7-1-3-8(4-2-7)20(17,18)14-6-5-9(15)16/h1-4,14H,5-6H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=13.3188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.252 g/mol  logS: -2.28995  SlogP: 1.7581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087813  Sterimol/B1: 2.30701  Sterimol/B2: 4.07102  Sterimol/B3: 5.14044
  Sterimol/B4: 5.57321  Sterimol/L: 14.3023 
 
 Surface and Volume Properties
  Accessible surface: 477.143  Positive charged surface: 199.831  Negative charged surface: 277.312  Volume: 229.875
  Hydrophobic surface: 175.911  Hydrophilic surface: 301.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01392671
ENAMINE-ZINC03355937