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CHEMDIV-ZINC04880799

 MMsINC code: MMs00960207
Type: Neutral
Formula: C19H17ClN2O5
SMILES:   Clc1cc(OC)c(NC(=O)c2noc(c2)-c2cc(OC)ccc2)cc1OC
InChI:   InChI=1/C19H17ClN2O5/c1-24-12-6-4-5-11(7-12)16-10-15(22-27-16)19(23)21-14-9-17(25-2)13(20)8-18(14)26-3/h4-10H,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=125.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.807 g/mol  logS: -5.43475  SlogP: 4.2731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128544  Sterimol/B1: 2.56464  Sterimol/B2: 3.21376  Sterimol/B3: 5.08989
  Sterimol/B4: 7.05497  Sterimol/L: 20.5202 
 
 Surface and Volume Properties
  Accessible surface: 645.432  Positive charged surface: 413.519  Negative charged surface: 231.913  Volume: 342.75
  Hydrophobic surface: 551.934  Hydrophilic surface: 93.498
 
 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.