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OTAVA-ZINC00465015

 MMsINC code: MMs02555204
Type: Neutral
Formula: C13H8F5NO2S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)c1c(F)cccc1F
InChI:   InChI=1/C13H8F5NO2S/c14-10-5-2-6-11(15)12(10)22(20,21)19-9-4-1-3-8(7-9)13(16,17)18/h1-7,19H

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Potential Energy
Epot(MMFF94)=31.6768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.268 g/mol  logS: -4.69323  SlogP: 4.0959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289333  Sterimol/B1: 2.63757  Sterimol/B2: 3.59186  Sterimol/B3: 5.26821
  Sterimol/B4: 5.30749  Sterimol/L: 11.4621 
 
 Surface and Volume Properties
  Accessible surface: 467.672  Positive charged surface: 169.677  Negative charged surface: 297.994  Volume: 244.375
  Hydrophobic surface: 287.746  Hydrophilic surface: 179.926
 
 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.