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PUBCHEM-ZINC00561951

 MMsINC code: MMs02703799
Type: Neutral
Formula: C15H16N2O2
SMILES:   o1c(C)c(cc1C)\C=N\NC(=O)c1ccc(cc1)C
InChI:   InChI=1/C15H16N2O2/c1-10-4-6-13(7-5-10)15(18)17-16-9-14-8-11(2)19-12(14)3/h4-9H,1-3H3,(H,17,18)/b16-9+

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Potential Energy
Epot(MMFF94)=74.3583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.305 g/mol  logS: -4.2375  SlogP: 2.96876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00621876  Sterimol/B1: 2.51092  Sterimol/B2: 2.51259  Sterimol/B3: 3.11381
  Sterimol/B4: 5.18562  Sterimol/L: 18.0593 
 
 Surface and Volume Properties
  Accessible surface: 526.427  Positive charged surface: 305.677  Negative charged surface: 220.75  Volume: 262.625
  Hydrophobic surface: 447.182  Hydrophilic surface: 79.245
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.