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CHEMBLOCK-ZINC04653927

 MMsINC code: MMs00568178
Type: Neutral
Formula: C18H16N2O2
SMILES:   O(C)c1ccccc1\C=C/1\N=C(NC\1=O)c1ccc(cc1)C
InChI:   InChI=1/C18H16N2O2/c1-12-7-9-13(10-8-12)17-19-15(18(21)20-17)11-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3,(H,19,20,21)/b15-11-

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Potential Energy
Epot(MMFF94)=90.8959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.338 g/mol  logS: -5.0255  SlogP: 2.92112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00850002  Sterimol/B1: 2.61213  Sterimol/B2: 2.69945  Sterimol/B3: 3.70246
  Sterimol/B4: 7.15715  Sterimol/L: 16.9972 
 
 Surface and Volume Properties
  Accessible surface: 545.827  Positive charged surface: 329.777  Negative charged surface: 216.05  Volume: 287
  Hydrophobic surface: 456.412  Hydrophilic surface: 89.415
 
 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.