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PUBCHEM-ZINC00684956

 MMsINC code: MMs02727323
Type: Neutral
Formula: C19H15ClN2O5
SMILES:   Clc1ccccc1OC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChI:   InChI=1/C19H15ClN2O5/c1-24-16-11-17(25-2)22-19(21-16)27-14-9-5-3-7-12(14)18(23)26-15-10-6-4-8-13(15)20/h3-11H,1-2H3

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Potential Energy
Epot(MMFF94)=77.2382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.791 g/mol  logS: -6.24382  SlogP: 4.1587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.308381  Sterimol/B1: 2.52396  Sterimol/B2: 5.55075  Sterimol/B3: 7.59861
  Sterimol/B4: 7.91664  Sterimol/L: 12.4509 
 
 Surface and Volume Properties
  Accessible surface: 622.964  Positive charged surface: 379.825  Negative charged surface: 243.139  Volume: 338.625
  Hydrophobic surface: 561.467  Hydrophilic surface: 61.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.