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CHEMBRIDGE-ZINC02836463

 MMsINC code: MMs00722913
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1ccc(NC(=O)CCC)cc1NC(=O)c1ccc(OCc2ccccc2)cc1
InChI:   InChI=1/C24H23ClN2O3/c1-2-6-23(28)26-19-11-14-21(25)22(15-19)27-24(29)18-9-12-20(13-10-18)30-16-17-7-4-3-5-8-17/h3-5,7-15H,2,6,16H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -6.83388  SlogP: 6.1763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173388  Sterimol/B1: 2.43069  Sterimol/B2: 3.36245  Sterimol/B3: 3.85304
  Sterimol/B4: 8.43882  Sterimol/L: 24.7115 
 
 Surface and Volume Properties
  Accessible surface: 754.698  Positive charged surface: 424.544  Negative charged surface: 330.154  Volume: 401.875
  Hydrophobic surface: 645.752  Hydrophilic surface: 108.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.