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PUBCHEM-ZINC01468267

 MMsINC code: MMs02810383
Type: Neutral
Formula: C19H22N2O4
SMILES:   O(C(=O)C)c1ccc(cc1OCC)\C=C\1/N2C(=NC/1=O)CCCCC2
InChI:   InChI=1/C19H22N2O4/c1-3-24-17-12-14(8-9-16(17)25-13(2)22)11-15-19(23)20-18-7-5-4-6-10-21(15)18/h8-9,11-12H,3-7,10H2,1-2H3/b15-11-

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Potential Energy
Epot(MMFF94)=129.695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.395 g/mol  logS: -3.99449  SlogP: 3.1662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113373  Sterimol/B1: 2.41509  Sterimol/B2: 2.97127  Sterimol/B3: 5.59229
  Sterimol/B4: 7.83928  Sterimol/L: 14.8368 
 
 Surface and Volume Properties
  Accessible surface: 597.552  Positive charged surface: 387.035  Negative charged surface: 210.517  Volume: 327.625
  Hydrophobic surface: 453.82  Hydrophilic surface: 143.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.