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PUBCHEM-ZINC06692852

 MMsINC code: MMs03840515
Type: Neutral
Formula: C22H18ClNO2
SMILES:   Clc1ccccc1Cc1cc(\C=N\c2cc(ccc2)C(=O)C)c(O)cc1
InChI:   InChI=1/C22H18ClNO2/c1-15(25)17-6-4-7-20(13-17)24-14-19-12-16(9-10-22(19)26)11-18-5-2-3-8-21(18)23/h2-10,12-14,26H,11H2,1H3/b24-14+

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Potential Energy
Epot(MMFF94)=103.701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.844 g/mol  logS: -5.79716  SlogP: 5.58957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.032068  Sterimol/B1: 3.33076  Sterimol/B2: 3.67816  Sterimol/B3: 4.85036
  Sterimol/B4: 5.27224  Sterimol/L: 19.2787 
 
 Surface and Volume Properties
  Accessible surface: 623.413  Positive charged surface: 340.32  Negative charged surface: 283.093  Volume: 348.875
  Hydrophobic surface: 533.49  Hydrophilic surface: 89.923
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.