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ENAMINE-ZINC03367804

 MMsINC code: MMs01399709
Type: Neutral
Formula: C18H16N2O2
SMILES:   O1C(=N\C(=C/Nc2cc(cc(c2)C)C)\C1=O)c1ccccc1
InChI:   InChI=1/C18H16N2O2/c1-12-8-13(2)10-15(9-12)19-11-16-18(21)22-17(20-16)14-6-4-3-5-7-14/h3-11,19H,1-2H3/b16-11-

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Potential Energy
Epot(MMFF94)=88.4434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.338 g/mol  logS: -5.5945  SlogP: 3.56034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00407401  Sterimol/B1: 2.51227  Sterimol/B2: 2.51575  Sterimol/B3: 3.45931
  Sterimol/B4: 7.15991  Sterimol/L: 17.0315 
 
 Surface and Volume Properties
  Accessible surface: 570.217  Positive charged surface: 314.919  Negative charged surface: 255.297  Volume: 288.25
  Hydrophobic surface: 473.809  Hydrophilic surface: 96.408
 
 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.