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CHEMSTAR-ZINC04150709

 MMsINC code: MMs01108815
Type: Neutral
Formula: C24H23ClN2O4
SMILES:   Clc1ccccc1OCC(=O)N\N=C/c1cc(OCC)c(OCc2ccccc2)cc1
InChI:   InChI=1/C24H23ClN2O4/c1-2-29-23-14-19(12-13-22(23)30-16-18-8-4-3-5-9-18)15-26-27-24(28)17-31-21-11-7-6-10-20(21)25/h3-15H,2,16-17H2,1H3,(H,27,28)/b26-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.911 g/mol  logS: -6.54513  SlogP: 5.1132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454724  Sterimol/B1: 2.37009  Sterimol/B2: 2.8933  Sterimol/B3: 5.09014
  Sterimol/B4: 10.3396  Sterimol/L: 18.7623 
 
 Surface and Volume Properties
  Accessible surface: 781.711  Positive charged surface: 445.208  Negative charged surface: 336.503  Volume: 413.25
  Hydrophobic surface: 652.726  Hydrophilic surface: 128.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.