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ENAMINE-ZINC03290497

 MMsINC code: MMs01352989
Type: Neutral
Formula: C19H14F3NOS
SMILES:   s1cccc1CNC(=O)c1ccccc1-c1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C19H14F3NOS/c20-19(21,22)14-9-7-13(8-10-14)16-5-1-2-6-17(16)18(24)23-12-15-4-3-11-25-15/h1-11H,12H2,(H,23,24)

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Potential Energy
Epot(MMFF94)=89.8693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.387 g/mol  logS: -6.58851  SlogP: 5.9418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581323  Sterimol/B1: 2.47894  Sterimol/B2: 2.91016  Sterimol/B3: 4.27244
  Sterimol/B4: 9.5358  Sterimol/L: 16.4476 
 
 Surface and Volume Properties
  Accessible surface: 585.972  Positive charged surface: 251.981  Negative charged surface: 331.205  Volume: 313.875
  Hydrophobic surface: 456.481  Hydrophilic surface: 129.491
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.