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CHEMBRIDGE-ZINC02835558

 MMsINC code: MMs00722658
Type: Neutral
Formula: C23H20N2O5
SMILES:   O(C)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(O)=O)c1C
InChI:   InChI=1/C23H20N2O5/c1-14-17(23(28)29)10-6-12-19(14)24-22(27)18-9-3-4-11-20(18)25-21(26)15-7-5-8-16(13-15)30-2/h3-13H,1-2H3,(H,24,27)(H,25,26)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.422 g/mol  logS: -5.50511  SlogP: 4.20642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252857  Sterimol/B1: 2.47148  Sterimol/B2: 3.88905  Sterimol/B3: 5.93812
  Sterimol/B4: 6.79451  Sterimol/L: 19.5281 
 
 Surface and Volume Properties
  Accessible surface: 668.336  Positive charged surface: 404.514  Negative charged surface: 263.822  Volume: 374.875
  Hydrophobic surface: 522.271  Hydrophilic surface: 146.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00722659
CHEMBRIDGE-ZINC02835558