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ENAMINE-ZINC03886801

 MMsINC code: MMs01528117
Type: Neutral
Formula: C14H13F3N2O2S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)c1cc(N)c(cc1)C
InChI:   InChI=1/C14H13F3N2O2S/c1-9-5-6-12(8-13(9)18)22(20,21)19-11-4-2-3-10(7-11)14(15,16)17/h2-8,19H,18H2,1H3

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Potential Energy
Epot(MMFF94)=60.4941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.33 g/mol  logS: -3.98462  SlogP: 3.70832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247462  Sterimol/B1: 2.85826  Sterimol/B2: 3.44552  Sterimol/B3: 4.74782
  Sterimol/B4: 7.29481  Sterimol/L: 12.61 
 
 Surface and Volume Properties
  Accessible surface: 506.117  Positive charged surface: 228.623  Negative charged surface: 277.494  Volume: 265.875
  Hydrophobic surface: 274.392  Hydrophilic surface: 231.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.