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PUBCHEM-ZINC06844338

 MMsINC code: MMs03872147
Type: Neutral
Formula: C22H23ClN2O4
SMILES:   Clc1ccc(cc1)CC(=O)N(CN1CCCC1=O)c1ccc(cc1)C(OCC)=O
InChI:   InChI=1/C22H23ClN2O4/c1-2-29-22(28)17-7-11-19(12-8-17)25(15-24-13-3-4-20(24)26)21(27)14-16-5-9-18(23)10-6-16/h5-12H,2-4,13-15H2,1H3

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Potential Energy
Epot(MMFF94)=103.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.889 g/mol  logS: -4.75819  SlogP: 3.67227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0727032  Sterimol/B1: 3.46327  Sterimol/B2: 4.04164  Sterimol/B3: 5.41709
  Sterimol/B4: 7.70023  Sterimol/L: 19.7002 
 
 Surface and Volume Properties
  Accessible surface: 687.146  Positive charged surface: 400.176  Negative charged surface: 286.97  Volume: 383.875
  Hydrophobic surface: 569.163  Hydrophilic surface: 117.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.