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


CHEMSTAR-ZINC03144489

 MMsINC code: MMs01084011
Type: Neutral
Formula: C35H26N2O4
SMILES:   O(C(=O)c1ccc(N)cc1)c1ccc2c(cccc2)c1Cc1c2c(ccc1OC(=O)c1ccc(N)
cc1)cccc2
InChI:   InChI=1/C35H26N2O4/c36-26-15-9-24(10-16-26)34(38)40-32-19-13-22-5-1-3-7-28(22)30(32)21-31-29-8-4-2-6-23(29)14-20-33(31)41-35(39)25-11-17-27(37)18-12-25/h1-20H,21,36-37H2

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)=300.856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 538.603 g/mol  logS: -10.6135  SlogP: 7.18657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148389  Sterimol/B1: 2.74557  Sterimol/B2: 2.99736  Sterimol/B3: 6.55221
  Sterimol/B4: 8.7514  Sterimol/L: 19.9899 
 
 Surface and Volume Properties
  Accessible surface: 761.033  Positive charged surface: 415.948  Negative charged surface: 328.064  Volume: 504.25
  Hydrophobic surface: 594.172  Hydrophilic surface: 166.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.