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CHEMBRIDGE-ZINC01150742

 MMsINC code: MMs00672421
Type: Neutral
Formula: C23H20N2O5
SMILES:   O(C)c1ccccc1CC(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1C(O)=O
InChI:   InChI=1/C23H20N2O5/c1-30-20-12-5-2-7-15(20)14-21(26)24-17-9-6-8-16(13-17)22(27)25-19-11-4-3-10-18(19)23(28)29/h2-13H,14H2,1H3,(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)=122.956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.422 g/mol  logS: -5.40611  SlogP: 3.82687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688475  Sterimol/B1: 2.44132  Sterimol/B2: 3.53972  Sterimol/B3: 6.98408
  Sterimol/B4: 8.45627  Sterimol/L: 17.3396 
 
 Surface and Volume Properties
  Accessible surface: 686.871  Positive charged surface: 426.7  Negative charged surface: 260.17  Volume: 375.125
  Hydrophobic surface: 534.586  Hydrophilic surface: 152.285
 
 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


MMs00672422
CHEMBRIDGE-ZINC01150742