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CHEMBRIDGE-ZINC01119261

 MMsINC code: MMs00664079
Type: Neutral
Formula: C23H20N2O4
SMILES:   OC(=O)c1cc(NC(=O)c2ccc(cc2)C)c(NC(=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C23H20N2O4/c1-14-3-7-16(8-4-14)21(26)24-19-12-11-18(23(28)29)13-20(19)25-22(27)17-9-5-15(2)6-10-17/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)=118.719 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: 0.0189632  Sterimol/B1: 2.45972  Sterimol/B2: 2.73263  Sterimol/B3: 4.71524
  Sterimol/B4: 11.2761  Sterimol/L: 15.8489 
 
 Surface and Volume Properties
  Accessible surface: 676.419  Positive charged surface: 373.955  Negative charged surface: 302.464  Volume: 369.75
  Hydrophobic surface: 513.816  Hydrophilic surface: 162.603
 
 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


MMs00664080
CHEMBRIDGE-ZINC01119261