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MAYBRIDGE-ZINC01024304

 MMsINC code: MMs02148043
Type: Neutral
Formula: C19H24FNO4S2
SMILES:   S(=O)(=O)(N(S(=O)(=O)c1ccc(F)cc1)CC)c1c(C)c(C)c(C)c(C)c1C
InChI:   InChI=1/C19H24FNO4S2/c1-7-21(26(22,23)18-10-8-17(20)9-11-18)27(24,25)19-15(5)13(3)12(2)14(4)16(19)6/h8-11H,7H2,1-6H3

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Potential Energy
Epot(MMFF94)=110.83 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.534 g/mol  logS: -5.52871  SlogP: 3.7673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816817  Sterimol/B1: 2.53889  Sterimol/B2: 2.88541  Sterimol/B3: 5.30207
  Sterimol/B4: 7.68113  Sterimol/L: 16.2189 
 
 Surface and Volume Properties
  Accessible surface: 583.304  Positive charged surface: 299.734  Negative charged surface: 283.57  Volume: 358.5
  Hydrophobic surface: 496.709  Hydrophilic surface: 86.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.