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PUBCHEM-ZINC05598849

 MMsINC code: MMs03318857
Type: Neutral
Formula: C14H12F3NO2S
SMILES:   S(=O)(=O)(Nc1ccccc1C)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H12F3NO2S/c1-10-5-2-3-8-13(10)18-21(19,20)12-7-4-6-11(9-12)14(15,16)17/h2-9,18H,1H3

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Potential Energy
Epot(MMFF94)=56.9232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.315 g/mol  logS: -4.26374  SlogP: 4.12612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278643  Sterimol/B1: 2.55223  Sterimol/B2: 3.35499  Sterimol/B3: 6.04759
  Sterimol/B4: 6.08905  Sterimol/L: 10.9112 
 
 Surface and Volume Properties
  Accessible surface: 473.384  Positive charged surface: 195.461  Negative charged surface: 277.923  Volume: 255.5
  Hydrophobic surface: 306.222  Hydrophilic surface: 167.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.