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CHEMBLOCK-ZINC04412345

 MMsINC code: MMs00550759
Type: Neutral
Formula: C18H19ClN2O4
SMILES:   Clc1ccc(OCC(=O)N\N=C(\C)/c2ccc(OC)cc2OC)cc1
InChI:   InChI=1/C18H19ClN2O4/c1-12(16-9-8-15(23-2)10-17(16)24-3)20-21-18(22)11-25-14-6-4-13(19)5-7-14/h4-10H,11H2,1-3H3,(H,21,22)/b20-12+

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Potential Energy
Epot(MMFF94)=135.447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.813 g/mol  logS: -4.75618  SlogP: 3.2764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00543575  Sterimol/B1: 2.00066  Sterimol/B2: 2.37925  Sterimol/B3: 2.51272
  Sterimol/B4: 7.71015  Sterimol/L: 22.2037 
 
 Surface and Volume Properties
  Accessible surface: 638.218  Positive charged surface: 402.593  Negative charged surface: 235.624  Volume: 334.875
  Hydrophobic surface: 563.147  Hydrophilic surface: 75.071
 
 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.