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CHEMBRIDGE-ZINC01144574

 MMsINC code: MMs00670996
Type: Neutral
Formula: C23H20N2O5
SMILES:   O(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(O)=O)c1C)c1ccccc1
InChI:   InChI=1/C23H20N2O5/c1-15-17(23(28)29)11-7-13-19(15)25-22(27)18-10-5-6-12-20(18)24-21(26)14-30-16-8-3-2-4-9-16/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)=139.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.422 g/mol  logS: -5.53155  SlogP: 3.96302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021048  Sterimol/B1: 2.34979  Sterimol/B2: 3.80177  Sterimol/B3: 5.95587
  Sterimol/B4: 6.8256  Sterimol/L: 19.7904 
 
 Surface and Volume Properties
  Accessible surface: 687.362  Positive charged surface: 393.72  Negative charged surface: 293.642  Volume: 376.5
  Hydrophobic surface: 535.045  Hydrophilic surface: 152.317
 
 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


MMs00670997
CHEMBRIDGE-ZINC01144574