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MAYBRIDGE-ZINC00104233

 MMsINC code: MMs02132263
Type: Neutral
Formula: C19H17NO2
SMILES:   O1C(=N\C(=C\c2ccc(cc2)C(C)C)\C1=O)c1ccccc1
InChI:   InChI=1/C19H17NO2/c1-13(2)15-10-8-14(9-11-15)12-17-19(21)22-18(20-17)16-6-4-3-5-7-16/h3-13H,1-2H3/b17-12+

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Potential Energy
Epot(MMFF94)=90.1894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.35 g/mol  logS: -6.56137  SlogP: 4.1545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277793  Sterimol/B1: 2.45386  Sterimol/B2: 2.50323  Sterimol/B3: 4.16067
  Sterimol/B4: 5.90124  Sterimol/L: 18.2992 
 
 Surface and Volume Properties
  Accessible surface: 556.115  Positive charged surface: 329.422  Negative charged surface: 226.693  Volume: 295.25
  Hydrophobic surface: 448.169  Hydrophilic surface: 107.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.