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ENAMINE-ZINC00074482

 MMsINC code: MMs01223121
Type: Neutral
Formula: C10H10F3NO4S
SMILES:   S(=O)(=O)(NC(C(O)=O)C)c1ccccc1C(F)(F)F
InChI:   InChI=1/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-5-3-2-4-7(8)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=29.4243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.253 g/mol  logS: -2.60246  SlogP: 1.7683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29274  Sterimol/B1: 3.33204  Sterimol/B2: 4.29063  Sterimol/B3: 4.64182
  Sterimol/B4: 5.50422  Sterimol/L: 11.0875 
 
 Surface and Volume Properties
  Accessible surface: 426.045  Positive charged surface: 189.662  Negative charged surface: 236.383  Volume: 219.25
  Hydrophobic surface: 197.1  Hydrophilic surface: 228.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01223122
ENAMINE-ZINC00074482