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ENAMINE-ZINC03239333

 MMsINC code: MMs01323796
Type: Neutral
Formula: C19H17F2N3O2
SMILES:   FC(F)Oc1ccc(cc1)-c1nn(cc1C(=O)N(C)C)-c1ccccc1
InChI:   InChI=1/C19H17F2N3O2/c1-23(2)18(25)16-12-24(14-6-4-3-5-7-14)22-17(16)13-8-10-15(11-9-13)26-19(20)21/h3-12,19H,1-2H3

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Potential Energy
Epot(MMFF94)=128.861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.36 g/mol  logS: -4.10836  SlogP: 4.2624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0232048  Sterimol/B1: 2.25121  Sterimol/B2: 2.73918  Sterimol/B3: 3.42687
  Sterimol/B4: 9.99197  Sterimol/L: 17.3889 
 
 Surface and Volume Properties
  Accessible surface: 589.499  Positive charged surface: 343.036  Negative charged surface: 246.463  Volume: 323.25
  Hydrophobic surface: 459.308  Hydrophilic surface: 130.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.