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PUBCHEM-ZINC05539145

 MMsINC code: MMs03301841
Type: Neutral
Formula: C20H22Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)/C(=N\NC(=O)COc1cc(ccc1C(C)C)C)/C
InChI:   InChI=1/C20H22Cl2N2O2/c1-12(2)16-7-5-13(3)9-19(16)26-11-20(25)24-23-14(4)15-6-8-17(21)18(22)10-15/h5-10,12H,11H2,1-4H3,(H,24,25)/b23-14-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.314 g/mol  logS: -7.05454  SlogP: 5.34442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390764  Sterimol/B1: 2.00071  Sterimol/B2: 3.09647  Sterimol/B3: 4.13511
  Sterimol/B4: 9.20734  Sterimol/L: 17.2181 
 
 Surface and Volume Properties
  Accessible surface: 685.273  Positive charged surface: 356.149  Negative charged surface: 329.124  Volume: 368
  Hydrophobic surface: 578.536  Hydrophilic surface: 106.737
 
 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.