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PUBCHEM-ZINC04372659

 MMsINC code: MMs03117172
Type: Neutral
Formula: C22H18Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1OCc1ccccc1
InChI:   InChI=1/C22H18Cl2N2O3/c23-18-10-11-21(19(24)12-18)29-15-22(27)26-25-13-17-8-4-5-9-20(17)28-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,27)/b25-13+

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Potential Energy
Epot(MMFF94)=134.135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.303 g/mol  logS: -6.90183  SlogP: 5.3679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308815  Sterimol/B1: 2.13339  Sterimol/B2: 3.61705  Sterimol/B3: 3.61997
  Sterimol/B4: 9.75985  Sterimol/L: 19.9783 
 
 Surface and Volume Properties
  Accessible surface: 686.088  Positive charged surface: 367.176  Negative charged surface: 318.912  Volume: 387.125
  Hydrophobic surface: 618.131  Hydrophilic surface: 67.957
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.