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ENAMINE-ZINC04863824

 MMsINC code: MMs01558487
Type: Neutral
Formula: C13H14N2O2
SMILES:   O1C(=N\C(=C\N(C)C)\C1=O)c1ccc(cc1)C
InChI:   InChI=1/C13H14N2O2/c1-9-4-6-10(7-5-9)12-14-11(8-15(2)3)13(16)17-12/h4-8H,1-3H3/b11-8-

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Potential Energy
Epot(MMFF94)=98.8666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.267 g/mol  logS: -3.42767  SlogP: 1.70142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131424  Sterimol/B1: 2.51334  Sterimol/B2: 2.71309  Sterimol/B3: 2.8902
  Sterimol/B4: 6.22937  Sterimol/L: 14.7273 
 
 Surface and Volume Properties
  Accessible surface: 465.813  Positive charged surface: 310.851  Negative charged surface: 154.962  Volume: 228.375
  Hydrophobic surface: 388.083  Hydrophilic surface: 77.73
 
 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.