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ENAMINE-ZINC04863667

 MMsINC code: MMs01558352
Type: Neutral
Formula: C7H6F3NOS
SMILES:   S(=O)(C(F)(F)F)c1ccc(N)cc1
InChI:   InChI=1/C7H6F3NOS/c8-7(9,10)13(12)6-3-1-5(11)2-4-6/h1-4H,11H2/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=52.1999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.191 g/mol  logS: -2.53488  SlogP: 2.3161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823195  Sterimol/B1: 2.43563  Sterimol/B2: 2.97761  Sterimol/B3: 3.19166
  Sterimol/B4: 4.81414  Sterimol/L: 11.3943 
 
 Surface and Volume Properties
  Accessible surface: 347.976  Positive charged surface: 154.85  Negative charged surface: 193.126  Volume: 154.875
  Hydrophobic surface: 136.156  Hydrophilic surface: 211.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.