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PUBCHEM-ZINC04817776

 MMsINC code: MMs03174520
Type: Neutral
Formula: C23H12N2O4
SMILES:   O=C1c2c(ccc3c2[nH]nc3C(=O)C(=O)c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C23H12N2O4/c26-20(12-6-2-1-3-7-12)23(29)19-16-11-10-15-17(18(16)24-25-19)22(28)14-9-5-4-8-13(14)21(15)27/h1-11H,(H,24,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.359 g/mol  logS: -6.7248  SlogP: 3.4039  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.000328168  Sterimol/B1: 2.11452  Sterimol/B2: 2.32044  Sterimol/B3: 4.18366
  Sterimol/B4: 4.62408  Sterimol/L: 20.2542 
 
 Surface and Volume Properties
  Accessible surface: 597.663  Positive charged surface: 299.547  Negative charged surface: 293.255  Volume: 338
  Hydrophobic surface: 428.826  Hydrophilic surface: 168.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.