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PUBCHEM-ZINC04547142

 MMsINC code: MMs03131964
Type: Neutral
Formula: C19H20Cl2N2O3
SMILES:   Clc1ccc(OCCCOc2ccc(Cl)cc2\C=N\NC(=O)C)cc1C
InChI:   InChI=1/C19H20Cl2N2O3/c1-13-10-17(5-6-18(13)21)25-8-3-9-26-19-7-4-16(20)11-15(19)12-22-23-14(2)24/h4-7,10-12H,3,8-9H2,1-2H3,(H,23,24)/b22-12+

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Potential Energy
Epot(MMFF94)=101.379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.286 g/mol  logS: -5.50353  SlogP: 4.61972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00842482  Sterimol/B1: 2.38044  Sterimol/B2: 2.51152  Sterimol/B3: 5.70392
  Sterimol/B4: 7.60363  Sterimol/L: 19.063 
 
 Surface and Volume Properties
  Accessible surface: 680.597  Positive charged surface: 377.939  Negative charged surface: 302.658  Volume: 360.5
  Hydrophobic surface: 599.742  Hydrophilic surface: 80.855
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.