logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC01663658

 MMsINC code: MMs02818418
Type: Neutral
Formula: C26H19NO5
SMILES:   O(C)c1ccc2n(c3c(c2c1C(OC)=O)C(=O)c1c(cccc1)C3=O)Cc1ccccc1
InChI:   InChI=1/C26H19NO5/c1-31-19-13-12-18-20(21(19)26(30)32-2)22-23(27(18)14-15-8-4-3-5-9-15)25(29)17-11-7-6-10-16(17)24(22)28/h3-13H,14H2,1-2H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=125.524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.44 g/mol  logS: -6.42184  SlogP: 4.5266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126749  Sterimol/B1: 3.25046  Sterimol/B2: 4.71255  Sterimol/B3: 6.43367
  Sterimol/B4: 6.93272  Sterimol/L: 15.8663 
 
 Surface and Volume Properties
  Accessible surface: 658.731  Positive charged surface: 408.055  Negative charged surface: 244.593  Volume: 396.5
  Hydrophobic surface: 576.088  Hydrophilic surface: 82.643
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.