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PUBCHEM-ZINC05886730

 MMsINC code: MMs03429318
Type: Neutral
Formula: C22H19ClN2O2
SMILES:   Clc1ccc(cc1)/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)/C
InChI:   InChI=1/C22H19ClN2O2/c1-16(18-7-11-20(23)12-8-18)24-25-22(26)19-9-13-21(14-10-19)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,26)/b24-16-

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Potential Energy
Epot(MMFF94)=129.752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.859 g/mol  logS: -6.39688  SlogP: 5.3394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360085  Sterimol/B1: 3.52085  Sterimol/B2: 3.69681  Sterimol/B3: 4.3749
  Sterimol/B4: 8.13191  Sterimol/L: 19.3161 
 
 Surface and Volume Properties
  Accessible surface: 669.187  Positive charged surface: 332.674  Negative charged surface: 336.514  Volume: 362.25
  Hydrophobic surface: 600.138  Hydrophilic surface: 69.049
 
 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.