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ENAMINE-ZINC03325318

 MMsINC code: MMs01372757
Type: Ionized
Formula: C15H10F4NO4S-
SMILES:   S(=O)(=O)(NC(CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1F
InChI:   InChI=1/C15H11F4NO4S/c16-9-3-1-8(2-4-9)11(7-13(21)22)20-25(23,24)12-6-5-10(17)14(18)15(12)19/h1-6,11,20H,7H2,(H,21,22)/p-1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.95276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.306 g/mol  logS: -4.30889  SlogP: 1.4981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171916  Sterimol/B1: 3.02531  Sterimol/B2: 3.77066  Sterimol/B3: 5.58223
  Sterimol/B4: 5.68248  Sterimol/L: 14.7013 
 
 Surface and Volume Properties
  Accessible surface: 516.92  Positive charged surface: 202.12  Negative charged surface: 314.8  Volume: 281.625
  Hydrophobic surface: 381.31  Hydrophilic surface: 135.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Parent related molecule:


MMs01372756
ENAMINE-ZINC03325318