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CHEMDIV-ZINC04880926

 MMsINC code: MMs00960245
Type: Neutral
Formula: C19H17ClN2O5
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2cc(OC)c(OC)cc2)c(OC)cc1
InChI:   InChI=1/C19H17ClN2O5/c1-24-15-7-5-12(20)9-13(15)21-19(23)14-10-17(27-22-14)11-4-6-16(25-2)18(8-11)26-3/h4-10H,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=127.511 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: 0.0120898  Sterimol/B1: 2.32675  Sterimol/B2: 3.02267  Sterimol/B3: 3.91842
  Sterimol/B4: 8.39609  Sterimol/L: 19.5301 
 
 Surface and Volume Properties
  Accessible surface: 655.036  Positive charged surface: 417.025  Negative charged surface: 238.011  Volume: 344.375
  Hydrophobic surface: 558.94  Hydrophilic surface: 96.096
 
 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.