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CHEMBRIDGE-ZINC04825412

 MMsINC code: MMs00793868
Type: Neutral
Formula: C21H15ClN2O4
SMILES:   Clc1ccccc1C(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1C(O)=O
InChI:   InChI=1/C21H15ClN2O4/c22-17-10-3-1-8-15(17)20(26)23-14-7-5-6-13(12-14)19(25)24-18-11-4-2-9-16(18)21(27)28/h1-12H,(H,23,26)(H,24,25)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.814 g/mol  logS: -6.02855  SlogP: 4.5428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0220287  Sterimol/B1: 2.5826  Sterimol/B2: 2.72785  Sterimol/B3: 4.14607
  Sterimol/B4: 8.31871  Sterimol/L: 18.692 
 
 Surface and Volume Properties
  Accessible surface: 634.574  Positive charged surface: 317.117  Negative charged surface: 317.457  Volume: 346
  Hydrophobic surface: 491.498  Hydrophilic surface: 143.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00793869
CHEMBRIDGE-ZINC04825412