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CHEMDIV-ZINC04881038

 MMsINC code: MMs00960272
Type: Neutral
Formula: C19H17ClN2O5
SMILES:   Clc1cc(ccc1)-c1onc(c1)C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C19H17ClN2O5/c1-24-16-8-13(9-17(25-2)18(16)26-3)21-19(23)14-10-15(27-22-14)11-5-4-6-12(20)7-11/h4-10H,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=126.424 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: 0.0189607  Sterimol/B1: 2.50731  Sterimol/B2: 2.61941  Sterimol/B3: 3.70485
  Sterimol/B4: 8.91096  Sterimol/L: 19.8508 
 
 Surface and Volume Properties
  Accessible surface: 653.526  Positive charged surface: 412.757  Negative charged surface: 240.769  Volume: 343.125
  Hydrophobic surface: 560.798  Hydrophilic surface: 92.728
 
 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.