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APOLLO-ZINC00153141

 MMsINC code: MMs00043941
Type: Neutral
Formula: C8H7ClF3NO2S
SMILES:   ClCCS(=O)(=O)c1ncc(cc1)C(F)(F)F
InChI:   InChI=1/C8H7ClF3NO2S/c9-3-4-16(14,15)7-2-1-6(5-13-7)8(10,11)12/h1-2,5H,3-4H2

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Potential Energy
Epot(MMFF94)=45.2168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.662 g/mol  logS: -2.40052  SlogP: 2.4244  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0844273  Sterimol/B1: 2.47034  Sterimol/B2: 3.70565  Sterimol/B3: 3.89562
  Sterimol/B4: 4.80991  Sterimol/L: 13.3504 
 
 Surface and Volume Properties
  Accessible surface: 420.774  Positive charged surface: 148.453  Negative charged surface: 272.32  Volume: 195.875
  Hydrophobic surface: 171.079  Hydrophilic surface: 249.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.