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ENAMINE-ZINC03532649

 MMsINC code: MMs01494509
Type: Neutral
Formula: C12H7F4NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1F)c1c(F)cccc1F
InChI:   InChI=1/C12H7F4NO2S/c13-7-4-5-11(10(16)6-7)17-20(18,19)12-8(14)2-1-3-9(12)15/h1-6,17H

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Potential Energy
Epot(MMFF94)=23.1208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.251 g/mol  logS: -4.22664  SlogP: 3.0438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252316  Sterimol/B1: 2.77192  Sterimol/B2: 3.33353  Sterimol/B3: 4.75913
  Sterimol/B4: 6.37191  Sterimol/L: 11.4003 
 
 Surface and Volume Properties
  Accessible surface: 430.744  Positive charged surface: 173.468  Negative charged surface: 257.276  Volume: 222.75
  Hydrophobic surface: 354.929  Hydrophilic surface: 75.815
 
 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.