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ENAMINE-ZINC03356395

 MMsINC code: MMs01392949
Type: Neutral
Formula: C21H20F3N3O
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)Nc1n(nc(c1)C(C)(C)C)-c1ccccc1
InChI:   InChI=1/C21H20F3N3O/c1-20(2,3)17-13-18(27(26-17)16-7-5-4-6-8-16)25-19(28)14-9-11-15(12-10-14)21(22,23)24/h4-13H,1-3H3,(H,25,28)

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Potential Energy
Epot(MMFF94)=131.314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.405 g/mol  logS: -5.79529  SlogP: 5.7524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0413871  Sterimol/B1: 2.22269  Sterimol/B2: 2.62996  Sterimol/B3: 4.90019
  Sterimol/B4: 9.82125  Sterimol/L: 16.7655 
 
 Surface and Volume Properties
  Accessible surface: 638.973  Positive charged surface: 302.039  Negative charged surface: 336.934  Volume: 350.125
  Hydrophobic surface: 445.09  Hydrophilic surface: 193.883
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.