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CHEMBLOCK-ZINC04359539

 MMsINC code: MMs00549331
Type: Neutral
Formula: C17H17ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)N\N=C(\C)/c1cc(OC)c(OC)cc1
InChI:   InChI=1/C17H17ClN2O3/c1-11(13-6-9-15(22-2)16(10-13)23-3)19-20-17(21)12-4-7-14(18)8-5-12/h4-10H,1-3H3,(H,20,21)/b19-11+

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Potential Energy
Epot(MMFF94)=119.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.787 g/mol  logS: -4.67936  SlogP: 3.5112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00597731  Sterimol/B1: 2.09531  Sterimol/B2: 2.37512  Sterimol/B3: 2.51201
  Sterimol/B4: 8.17169  Sterimol/L: 19.9328 
 
 Surface and Volume Properties
  Accessible surface: 590.021  Positive charged surface: 348.398  Negative charged surface: 241.623  Volume: 305.75
  Hydrophobic surface: 516.009  Hydrophilic surface: 74.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.