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


PUBCHEM-ZINC02857628

 MMsINC code: MMs02942032
Type: Neutral
Formula: C26H20N2O3
SMILES:   o1c2c(nc1-c1cc(NC(=O)Cc3c4c(ccc3)cccc4)ccc1O)cc(cc2)C
InChI:   InChI=1/C26H20N2O3/c1-16-9-12-24-22(13-16)28-26(31-24)21-15-19(10-11-23(21)29)27-25(30)14-18-7-4-6-17-5-2-3-8-20(17)18/h2-13,15,29H,14H2,1H3,(H,27,30)

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)=121.617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.457 g/mol  logS: -8.72186  SlogP: 5.84319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804241  Sterimol/B1: 3.3633  Sterimol/B2: 4.30454  Sterimol/B3: 5.00372
  Sterimol/B4: 9.03345  Sterimol/L: 17.8997 
 
 Surface and Volume Properties
  Accessible surface: 702.042  Positive charged surface: 415.635  Negative charged surface: 279.219  Volume: 389.875
  Hydrophobic surface: 595.227  Hydrophilic surface: 106.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.