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CHEMBRIDGE-ZINC01159305

 MMsINC code: MMs00675418
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1cc(NC(=O)c2ccccc2OCC(=O)NC(C)c2ccccc2)ccc1C
InChI:   InChI=1/C24H23ClN2O3/c1-16-12-13-19(14-21(16)25)27-24(29)20-10-6-7-11-22(20)30-15-23(28)26-17(2)18-8-4-3-5-9-18/h3-14,17H,15H2,1-2H3,(H,26,28)(H,27,29)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -6.56769  SlogP: 5.25242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347676  Sterimol/B1: 2.12999  Sterimol/B2: 3.53815  Sterimol/B3: 3.9317
  Sterimol/B4: 11.2618  Sterimol/L: 19.91 
 
 Surface and Volume Properties
  Accessible surface: 732.168  Positive charged surface: 402.894  Negative charged surface: 329.274  Volume: 405.25
  Hydrophobic surface: 645.186  Hydrophilic surface: 86.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.