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MAYBRIDGE-ZINC01026578

 MMsINC code: MMs02148557
Type: Neutral
Formula: C13H10F3NO4S2
SMILES:   s1ccc(NS(=O)(=O)c2cc(ccc2)C(F)(F)F)c1C(OC)=O
InChI:   InChI=1/C13H10F3NO4S2/c1-21-12(18)11-10(5-6-22-11)17-23(19,20)9-4-2-3-8(7-9)13(14,15)16/h2-7,17H,1H3

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Potential Energy
Epot(MMFF94)=48.7088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.352 g/mol  logS: -4.29167  SlogP: 3.6658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284886  Sterimol/B1: 2.86714  Sterimol/B2: 3.64547  Sterimol/B3: 6.56529
  Sterimol/B4: 6.94749  Sterimol/L: 12.9582 
 
 Surface and Volume Properties
  Accessible surface: 512.473  Positive charged surface: 219.191  Negative charged surface: 293.282  Volume: 269.875
  Hydrophobic surface: 309.541  Hydrophilic surface: 202.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.