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CHEMBRIDGE-ZINC04989894

 MMsINC code: MMs00822183
Type: Neutral
Formula: C24H12N2O4
SMILES:   o1nc2c3c(C(=O)c4c(-c13)cccc4)c(O\N=C/1\c3c(C=CC\1=O)cccc3)cc
2
InChI:   InChI=1/C24H12N2O4/c27-18-11-9-13-5-1-2-6-14(13)22(18)26-29-19-12-10-17-20-21(19)23(28)15-7-3-4-8-16(15)24(20)30-25-17/h1-12H/b26-22-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.54 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.37 g/mol  logS: -7.92476  SlogP: 4.4182  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135112  Sterimol/B1: 2.98767  Sterimol/B2: 4.92887  Sterimol/B3: 7.16693
  Sterimol/B4: 7.19715  Sterimol/L: 15.9541 
 
 Surface and Volume Properties
  Accessible surface: 613.865  Positive charged surface: 313.038  Negative charged surface: 295.648  Volume: 352
  Hydrophobic surface: 511.78  Hydrophilic surface: 102.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.