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ENAMINE-ZINC03186063

 MMsINC code: MMs01299442
Type: Neutral
Formula: C14H11F2NO4S2
SMILES:   S(C(F)F)c1ccc(NS(=O)(=O)c2cc(ccc2)C(O)=O)cc1
InChI:   InChI=1/C14H11F2NO4S2/c15-14(16)22-11-6-4-10(5-7-11)17-23(20,21)12-3-1-2-9(8-12)13(18)19/h1-8,14,17H,(H,18,19)

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Potential Energy
Epot(MMFF94)=41.2459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.373 g/mol  logS: -4.12139  SlogP: 3.9202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144059  Sterimol/B1: 3.40788  Sterimol/B2: 4.98051  Sterimol/B3: 5.00095
  Sterimol/B4: 6.20915  Sterimol/L: 13.6963 
 
 Surface and Volume Properties
  Accessible surface: 521.131  Positive charged surface: 233.053  Negative charged surface: 288.077  Volume: 279.75
  Hydrophobic surface: 233.52  Hydrophilic surface: 287.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01299443
ENAMINE-ZINC03186063