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CHEMBRIDGE-ZINC00043360

 MMsINC code: MMs00584553
Type: Neutral
Formula: C19H22N2O2
SMILES:   O(C)c1ccccc1\C=N\NC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H22N2O2/c1-19(2,3)16-11-9-14(10-12-16)18(22)21-20-13-15-7-5-6-8-17(15)23-4/h5-13H,1-4H3,(H,21,22)/b20-13+

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Potential Energy
Epot(MMFF94)=122.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.397 g/mol  logS: -5.60811  SlogP: 3.7566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189808  Sterimol/B1: 2.37593  Sterimol/B2: 4.40059  Sterimol/B3: 4.87329
  Sterimol/B4: 5.10178  Sterimol/L: 18.6468 
 
 Surface and Volume Properties
  Accessible surface: 590.152  Positive charged surface: 390.865  Negative charged surface: 199.288  Volume: 318.75
  Hydrophobic surface: 471.895  Hydrophilic surface: 118.257
 
 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.