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PUBCHEM-ZINC02931735

 MMsINC code: MMs02961733
Type: Neutral
Formula: C24H18N2O8
SMILES:   O(C(=O)C)c1cc(cc(c1)C(=O)Nc1ccccc1C(O)=O)C(=O)Nc1ccccc1C(O)=
O
InChI:   InChI=1/C24H18N2O8/c1-13(27)34-16-11-14(21(28)25-19-8-4-2-6-17(19)23(30)31)10-15(12-16)22(29)26-20-9-5-3-7-18(20)24(32)33/h2-12H,1H3,(H,25,28)(H,26,29)(H,30,31)(H,32,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.414 g/mol  logS: -5.61718  SlogP: 3.5129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341219  Sterimol/B1: 1.969  Sterimol/B2: 3.29607  Sterimol/B3: 4.32219
  Sterimol/B4: 10.9898  Sterimol/L: 19.3198 
 
 Surface and Volume Properties
  Accessible surface: 730.22  Positive charged surface: 402.093  Negative charged surface: 328.127  Volume: 402.375
  Hydrophobic surface: 458.382  Hydrophilic surface: 271.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules


MMs02961734
PUBCHEM-ZINC02931735