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CHEMBRIDGE-ZINC00646665

 MMsINC code: MMs00637821
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1cccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3CC)cc2)c1C
InChI:   InChI=1/C24H23ClN2O3/c1-3-17-7-4-5-9-22(17)26-23(28)15-30-19-13-11-18(12-14-19)24(29)27-21-10-6-8-20(25)16(21)2/h4-14H,3,15H2,1-2H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -6.97213  SlogP: 5.48059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172478  Sterimol/B1: 2.37598  Sterimol/B2: 3.27024  Sterimol/B3: 3.54032
  Sterimol/B4: 8.19598  Sterimol/L: 22.5757 
 
 Surface and Volume Properties
  Accessible surface: 719.411  Positive charged surface: 392.198  Negative charged surface: 327.212  Volume: 401.25
  Hydrophobic surface: 624.292  Hydrophilic surface: 95.119
 
 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.