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PUBCHEM-ZINC02379694

 MMsINC code: MMs02885860
Type: Neutral
Formula: C21H17ClN2O2
SMILES:   Clc1ccc(cc1)C(=O)N\N=C\c1cc(OCc2ccccc2)ccc1
InChI:   InChI=1/C21H17ClN2O2/c22-19-11-9-18(10-12-19)21(25)24-23-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,24,25)/b23-14+

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Potential Energy
Epot(MMFF94)=106.608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.832 g/mol  logS: -6.09072  SlogP: 4.9493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0179077  Sterimol/B1: 2.82883  Sterimol/B2: 3.61715  Sterimol/B3: 3.61881
  Sterimol/B4: 7.20589  Sterimol/L: 22.532 
 
 Surface and Volume Properties
  Accessible surface: 664.325  Positive charged surface: 330.005  Negative charged surface: 334.32  Volume: 345.125
  Hydrophobic surface: 578.61  Hydrophilic surface: 85.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.