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ASINEX-ZINC00345244

MMsINC code: MMs00121715

Type: Neutral
Formula: C18H19FN2O2
SMILES:   Fc1ccc(cc1)/C(=N/NC(=O)COc1cc(cc(c1)C)C)/C
InChI:   InChI=1/C18H19FN2O2/c1-12-8-13(2)10-17(9-12)23-11-18(22)21-20-14(3)15-4-6-16(19)7-5-15/h4-10H,11H2,1-3H3,(H,21,22)/b20-14+

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Potential Energy
Epot(MMFF94)=105.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.36 g/mol  logS: -5.16395  SlogP: 3.36174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00572453  Sterimol/B1: 2.05824  Sterimol/B2: 2.51235  Sterimol/B3: 2.51552
  Sterimol/B4: 7.19395  Sterimol/L: 19.4762 
 
 Surface and Volume Properties
  Accessible surface: 608.197  Positive charged surface: 347.308  Negative charged surface: 260.889  Volume: 310.875
  Hydrophobic surface: 534.337  Hydrophilic surface: 73.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.