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CHEMBLOCK-ZINC04402130

 MMsINC code: MMs00550243
Type: Neutral
Formula: C18H18Cl2N2O4
SMILES:   Clc1cc(Cl)ccc1OCC(=O)N\N=C(\C)/c1ccc(OC)cc1OC
InChI:   InChI=1/C18H18Cl2N2O4/c1-11(14-6-5-13(24-2)9-17(14)25-3)21-22-18(23)10-26-16-7-4-12(19)8-15(16)20/h4-9H,10H2,1-3H3,(H,22,23)/b21-11+

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Potential Energy
Epot(MMFF94)=138.966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.258 g/mol  logS: -5.49047  SlogP: 3.9298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00544625  Sterimol/B1: 1.99805  Sterimol/B2: 2.38005  Sterimol/B3: 2.51266
  Sterimol/B4: 7.7226  Sterimol/L: 22.2023 
 
 Surface and Volume Properties
  Accessible surface: 661.988  Positive charged surface: 384.386  Negative charged surface: 277.602  Volume: 349
  Hydrophobic surface: 592.968  Hydrophilic surface: 69.02
 
 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.