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ALFAAESAR-ZINC02584327

 MMsINC code: MMs00024157
Type: Neutral
Formula: C7H6F3NO2S
SMILES:   S(=O)(=O)(N)c1ccccc1C(F)(F)F
InChI:   InChI=1/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=14.8539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.19 g/mol  logS: -2.66804  SlogP: 1.6643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128272  Sterimol/B1: 2.83618  Sterimol/B2: 3.55433  Sterimol/B3: 4.4076
  Sterimol/B4: 4.44831  Sterimol/L: 9.91449 
 
 Surface and Volume Properties
  Accessible surface: 343.363  Positive charged surface: 128.997  Negative charged surface: 214.367  Volume: 156
  Hydrophobic surface: 150.699  Hydrophilic surface: 192.664
 
 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


MMs00024158
ALFAAESAR-ZINC02584327