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PUBCHEM-ZINC06058883

 MMsINC code: MMs03517447
Type: Ionized
Formula: C24H14N2O4-2
SMILES:   O=C([O-])c1ccc(cc1)-c1cc(ncc1)-c1nccc(c1)-c1ccc(cc1)C(=O)[O-
]
InChI:   InChI=1/C24H16N2O4/c27-23(28)17-5-1-15(2-6-17)19-9-11-25-21(13-19)22-14-20(10-12-26-22)16-3-7-18(8-4-16)24(29)30/h1-14H,(H,27,28)(H,29,30)/p-2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.386 g/mol  logS: -6.54504  SlogP: 2.2046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235279  Sterimol/B1: 2.33121  Sterimol/B2: 3.61197  Sterimol/B3: 3.88773
  Sterimol/B4: 6.16456  Sterimol/L: 22.1013 
 
 Surface and Volume Properties
  Accessible surface: 648.425  Positive charged surface: 330.539  Negative charged surface: 311.049  Volume: 365.625
  Hydrophobic surface: 441.984  Hydrophilic surface: 206.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 4  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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Parent related molecule:


MMs03517446
PUBCHEM-ZINC06058883