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ENAMINE-ZINC03532681

 MMsINC code: MMs01494539
Type: Neutral
Formula: C13H10F3NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1C)c1c(F)cccc1F
InChI:   InChI=1/C13H10F3NO2S/c1-8-7-9(14)5-6-12(8)17-20(18,19)13-10(15)3-2-4-11(13)16/h2-7,17H,1H3

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Potential Energy
Epot(MMFF94)=25.7962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.288 g/mol  logS: -4.09213  SlogP: 3.21312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30595  Sterimol/B1: 2.1023  Sterimol/B2: 2.57229  Sterimol/B3: 5.69022
  Sterimol/B4: 6.45749  Sterimol/L: 10.8928 
 
 Surface and Volume Properties
  Accessible surface: 447.544  Positive charged surface: 201.415  Negative charged surface: 246.129  Volume: 235.375
  Hydrophobic surface: 376.022  Hydrophilic surface: 71.522
 
 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.