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IBS-ZINC05346231

 MMsINC code: MMs01941854
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-/m1/s1

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Potential Energy
Epot(MMFF94)=60.0632 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: 0.0503625  Sterimol/B1: 2.85501  Sterimol/B2: 2.97114  Sterimol/B3: 4.10431
  Sterimol/B4: 5.34376  Sterimol/L: 16.1484 
 
 Surface and Volume Properties
  Accessible surface: 497.344  Positive charged surface: 251.555  Negative charged surface: 240.667  Volume: 261.375
  Hydrophobic surface: 379.188  Hydrophilic surface: 118.156
 
 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.