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APOLLO-ZINC03883139

 MMsINC code: MMs00056259
Type: Neutral
Formula: C15H12F3NO4S
SMILES:   S(=O)(=O)(NC(C(O)=O)c1ccccc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C15H12F3NO4S/c16-15(17,18)11-7-4-8-12(9-11)24(22,23)19-13(14(20)21)10-5-2-1-3-6-10/h1-9,13,19H,(H,20,21)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=54.4747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.324 g/mol  logS: -4.04315  SlogP: 3.2166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104779  Sterimol/B1: 3.73007  Sterimol/B2: 4.13236  Sterimol/B3: 4.63016
  Sterimol/B4: 5.09286  Sterimol/L: 14.5978 
 
 Surface and Volume Properties
  Accessible surface: 524.662  Positive charged surface: 207.367  Negative charged surface: 317.296  Volume: 281.25
  Hydrophobic surface: 292.433  Hydrophilic surface: 232.229
 
 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


MMs00056260
APOLLO-ZINC03883139