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IBS-ZINC04318684

 MMsINC code: MMs01884617
Type: Neutral
Formula: C18H20N2O5
SMILES:   O(CC(O\N=C(/N)\c1cc(OC)c(OC)cc1)=O)c1ccccc1C
InChI:   InChI=1/C18H20N2O5/c1-12-6-4-5-7-14(12)24-11-17(21)25-20-18(19)13-8-9-15(22-2)16(10-13)23-3/h4-10H,11H2,1-3H3,(H2,19,20)

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Potential Energy
Epot(MMFF94)=135.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.367 g/mol  logS: -4.26628  SlogP: 2.25472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00498318  Sterimol/B1: 2.37946  Sterimol/B2: 2.48669  Sterimol/B3: 2.51215
  Sterimol/B4: 7.04855  Sterimol/L: 19.625 
 
 Surface and Volume Properties
  Accessible surface: 639.786  Positive charged surface: 447.06  Negative charged surface: 192.726  Volume: 325.625
  Hydrophobic surface: 513.381  Hydrophilic surface: 126.405
 
 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.