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ENAMINE-ZINC03532657

 MMsINC code: MMs01494517
Type: Neutral
Formula: C13H10F3NO2S
SMILES:   S(=O)(=O)(Nc1cc(F)c(cc1)C)c1c(F)cccc1F
InChI:   InChI=1/C13H10F3NO2S/c1-8-5-6-9(7-12(8)16)17-20(18,19)13-10(14)3-2-4-11(13)15/h2-7,17H,1H3

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Potential Energy
Epot(MMFF94)=17.3194 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: 0.203756  Sterimol/B1: 3.3751  Sterimol/B2: 3.63377  Sterimol/B3: 4.12554
  Sterimol/B4: 5.90606  Sterimol/L: 12.5085 
 
 Surface and Volume Properties
  Accessible surface: 458.886  Positive charged surface: 215.067  Negative charged surface: 243.818  Volume: 236.625
  Hydrophobic surface: 382.617  Hydrophilic surface: 76.269
 
 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.