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APOLLO-ZINC02388323

 MMsINC code: MMs00052191
Type: Neutral
Formula: C6H4F3NO2S
SMILES:   S(=O)(=O)(N)c1c(F)cc(F)cc1F
InChI:   InChI=1/C6H4F3NO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-21.8546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.163 g/mol  logS: -2.49643  SlogP: 0.7513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105049  Sterimol/B1: 2.66611  Sterimol/B2: 2.94496  Sterimol/B3: 3.06596
  Sterimol/B4: 5.06326  Sterimol/L: 10.3204 
 
 Surface and Volume Properties
  Accessible surface: 327.264  Positive charged surface: 127.595  Negative charged surface: 199.67  Volume: 140.875
  Hydrophobic surface: 201.529  Hydrophilic surface: 125.735
 
 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


MMs00052192
APOLLO-ZINC02388323