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APOLLO-ZINC03883140

 MMsINC code: MMs00056261
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-/m1/s1

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Potential Energy
Epot(MMFF94)=54.36 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: 0.297347  Sterimol/B1: 2.55642  Sterimol/B2: 3.99168  Sterimol/B3: 4.85175
  Sterimol/B4: 7.14973  Sterimol/L: 12.3429 
 
 Surface and Volume Properties
  Accessible surface: 530.255  Positive charged surface: 205.911  Negative charged surface: 324.344  Volume: 282.375
  Hydrophobic surface: 282.961  Hydrophilic surface: 247.294
 
 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


MMs00056262
APOLLO-ZINC03883140