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CHEMBRIDGE-ZINC04870327

 MMsINC code: MMs00807661
Type: Neutral
Formula: C23H20N2O4
SMILES:   OC(=O)c1cc(NC(=O)c2cc(ccc2)C)cc(NC(=O)c2cc(ccc2)C)c1
InChI:   InChI=1/C23H20N2O4/c1-14-5-3-7-16(9-14)21(26)24-19-11-18(23(28)29)12-20(13-19)25-22(27)17-8-4-6-15(2)10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.423 g/mol  logS: -6.2421  SlogP: 4.50624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242819  Sterimol/B1: 2.38108  Sterimol/B2: 2.51334  Sterimol/B3: 3.4372
  Sterimol/B4: 12.3354  Sterimol/L: 17.1972 
 
 Surface and Volume Properties
  Accessible surface: 694.983  Positive charged surface: 391.381  Negative charged surface: 303.602  Volume: 369
  Hydrophobic surface: 533.767  Hydrophilic surface: 161.216
 
 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


MMs00807662
CHEMBRIDGE-ZINC04870327