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CHEMBRIDGE-ZINC04725353

 MMsINC code: MMs00780536
Type: Neutral
Formula: C18H20N2O6
SMILES:   O(C)c1cc(ccc1OC)/C(=N/OC(=O)COc1ccc(OC)cc1)/N
InChI:   InChI=1/C18H20N2O6/c1-22-13-5-7-14(8-6-13)25-11-17(21)26-20-18(19)12-4-9-15(23-2)16(10-12)24-3/h4-10H,11H2,1-3H3,(H2,19,20)

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Potential Energy
Epot(MMFF94)=144.574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.366 g/mol  logS: -4.15619  SlogP: 1.9549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00409743  Sterimol/B1: 2.37471  Sterimol/B2: 2.37933  Sterimol/B3: 3.86903
  Sterimol/B4: 5.69074  Sterimol/L: 21.785 
 
 Surface and Volume Properties
  Accessible surface: 661.601  Positive charged surface: 480.947  Negative charged surface: 180.654  Volume: 332.5
  Hydrophobic surface: 517.824  Hydrophilic surface: 143.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.