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CHEMDIV-ZINC04880505

 MMsINC code: MMs00960135
Type: Neutral
Formula: C20H19ClN2O4
SMILES:   Clc1ccc(cc1)-c1onc(c1)C(=O)NCCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C20H19ClN2O4/c1-25-17-8-3-13(11-19(17)26-2)9-10-22-20(24)16-12-18(27-23-16)14-4-6-15(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=104.076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.835 g/mol  logS: -5.38988  SlogP: 3.98467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361616  Sterimol/B1: 2.16996  Sterimol/B2: 3.33217  Sterimol/B3: 4.23512
  Sterimol/B4: 7.29358  Sterimol/L: 23.2728 
 
 Surface and Volume Properties
  Accessible surface: 685.378  Positive charged surface: 409.306  Negative charged surface: 276.071  Volume: 353.625
  Hydrophobic surface: 582.509  Hydrophilic surface: 102.869
 
 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.