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PUBCHEM-ZINC05753313

 MMsINC code: MMs03371831
Type: Neutral
Formula: C14H15F3N4O3S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(\N=C\C=2C(=O)N(NC=2C(F)(F)F)C)cc1
InChI:   InChI=1/C14H15F3N4O3S/c1-20(2)25(23,24)10-6-4-9(5-7-10)18-8-11-12(14(15,16)17)19-21(3)13(11)22/h4-8,19H,1-3H3/b18-8+

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Potential Energy
Epot(MMFF94)=78.9967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.359 g/mol  logS: -3.03194  SlogP: 1.8521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471939  Sterimol/B1: 2.44433  Sterimol/B2: 3.1992  Sterimol/B3: 4.59187
  Sterimol/B4: 6.75423  Sterimol/L: 17.0242 
 
 Surface and Volume Properties
  Accessible surface: 583.174  Positive charged surface: 345.858  Negative charged surface: 237.316  Volume: 302.375
  Hydrophobic surface: 349.901  Hydrophilic surface: 233.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.