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IBS-ZINC05346232

 MMsINC code: MMs01941855
Type: Neutral
Formula: C14H15FN2O3S
SMILES:   S1(=O)(=O)CC(N(C(=O)c2[nH]c3c(c2)cc(F)cc3)C)CC1
InChI:   InChI=1/C14H15FN2O3S/c1-17(11-4-5-21(19,20)8-11)14(18)13-7-9-6-10(15)2-3-12(9)16-13/h2-3,6-7,11,16H,4-5,8H2,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=60.0289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.349 g/mol  logS: -2.6246  SlogP: 1.5661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521982  Sterimol/B1: 2.80194  Sterimol/B2: 3.09424  Sterimol/B3: 4.0286
  Sterimol/B4: 5.38789  Sterimol/L: 16.1135 
 
 Surface and Volume Properties
  Accessible surface: 497.019  Positive charged surface: 251.528  Negative charged surface: 240.369  Volume: 265.125
  Hydrophobic surface: 377.329  Hydrophilic surface: 119.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.