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PUBCHEM-ZINC05816633

 MMsINC code: MMs03395729
Type: Neutral
Formula: C18H20N2O4
SMILES:   O(CC(=O)N\N=C(/C)\c1ccc(OC)cc1)c1ccccc1OC
InChI:   InChI=1/C18H20N2O4/c1-13(14-8-10-15(22-2)11-9-14)19-20-18(21)12-24-17-7-5-4-6-16(17)23-3/h4-11H,12H2,1-3H3,(H,20,21)/b19-13-

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Potential Energy
Epot(MMFF94)=142.093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.368 g/mol  logS: -4.02189  SlogP: 2.623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187055  Sterimol/B1: 2.34091  Sterimol/B2: 2.63605  Sterimol/B3: 3.32552
  Sterimol/B4: 9.04469  Sterimol/L: 17.5198 
 
 Surface and Volume Properties
  Accessible surface: 618.258  Positive charged surface: 419.235  Negative charged surface: 199.023  Volume: 319.5
  Hydrophobic surface: 530.372  Hydrophilic surface: 87.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.