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CHEMBRIDGE-ZINC02853182

 MMsINC code: MMs00727207
Type: Neutral
Formula: C17H19ClN2O5
SMILES:   Clc1cc(NC(=O)Nc2cc(OC)c(OC)cc2)c(OC)cc1OC
InChI:   InChI=1/C17H19ClN2O5/c1-22-13-6-5-10(7-16(13)25-4)19-17(21)20-12-8-11(18)14(23-2)9-15(12)24-3/h5-9H,1-4H3,(H2,19,20,21)

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Potential Energy
Epot(MMFF94)=116.034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.801 g/mol  logS: -4.18786  SlogP: 4.0184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483032  Sterimol/B1: 2.43236  Sterimol/B2: 2.72126  Sterimol/B3: 5.17766
  Sterimol/B4: 7.29189  Sterimol/L: 17.9253 
 
 Surface and Volume Properties
  Accessible surface: 626.871  Positive charged surface: 466.027  Negative charged surface: 160.844  Volume: 325.5
  Hydrophobic surface: 542.091  Hydrophilic surface: 84.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.