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CHEMBRIDGE-ZINC02924918

 MMsINC code: MMs00741735
Type: Neutral
Formula: C28H20N2O6
SMILES:   OC(=O)c1cc(ccc1NC(=O)c1ccccc1)-c1cc(C(O)=O)c(NC(=O)c2ccccc2)
cc1
InChI:   InChI=1/C28H20N2O6/c31-25(17-7-3-1-4-8-17)29-23-13-11-19(15-21(23)27(33)34)20-12-14-24(22(16-20)28(35)36)30-26(32)18-9-5-2-6-10-18/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.476 g/mol  logS: -7.69004  SlogP: 5.2546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00453689  Sterimol/B1: 2.4356  Sterimol/B2: 2.76747  Sterimol/B3: 5.72018
  Sterimol/B4: 6.33698  Sterimol/L: 24.8937 
 
 Surface and Volume Properties
  Accessible surface: 759.453  Positive charged surface: 393.118  Negative charged surface: 355.785  Volume: 435.375
  Hydrophobic surface: 533.28  Hydrophilic surface: 226.173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs00741736
CHEMBRIDGE-ZINC02924918