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PUBCHEM-ZINC05957875

 MMsINC code: MMs03460655
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1c(cc(OCC(=O)N\N=C(\C)/c2ccccc2O)cc1C)C
InChI:   InChI=1/C18H19ClN2O3/c1-11-8-14(9-12(2)18(11)19)24-10-17(23)21-20-13(3)15-6-4-5-7-16(15)22/h4-9,22H,10H2,1-3H3,(H,21,23)/b20-13-

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Potential Energy
Epot(MMFF94)=118.352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -4.61441  SlogP: 3.58164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418709  Sterimol/B1: 3.36276  Sterimol/B2: 3.75815  Sterimol/B3: 3.85401
  Sterimol/B4: 6.73358  Sterimol/L: 16.5707 
 
 Surface and Volume Properties
  Accessible surface: 621.842  Positive charged surface: 350.083  Negative charged surface: 271.759  Volume: 324.875
  Hydrophobic surface: 517.878  Hydrophilic surface: 103.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.