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ASINEX-ZINC00714249

 MMsINC code: MMs00152261
Type: Ionized
Formula: C18H11F3NO4S-
SMILES:   S(C1CC(=O)N(C1=O)c1ccc(cc1)C(F)(F)F)c1ccccc1C(=O)[O-]
InChI:   InChI=1/C18H12F3NO4S/c19-18(20,21)10-5-7-11(8-6-10)22-15(23)9-14(16(22)24)27-13-4-2-1-3-12(13)17(25)26/h1-8,14H,9H2,(H,25,26)/p-1/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=78.9844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.349 g/mol  logS: -6.00119  SlogP: 2.8046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827973  Sterimol/B1: 2.45759  Sterimol/B2: 3.36871  Sterimol/B3: 5.71052
  Sterimol/B4: 7.21246  Sterimol/L: 16.4429 
 
 Surface and Volume Properties
  Accessible surface: 573.758  Positive charged surface: 218.137  Negative charged surface: 355.621  Volume: 315.125
  Hydrophobic surface: 309.909  Hydrophilic surface: 263.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs00152260
ASINEX-ZINC00714249