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


NCID-ZINC00640797

 MMsINC code: MMs02217663
Type: Neutral
Formula: C30H30N4O4
SMILES:   O(C)c1ccc(NC(=O)Nc2ccc(cc2C)-c2cc(C)c(NC(=O)Nc3ccc(OC)cc3)cc
2)cc1
InChI:   InChI=1/C30H30N4O4/c1-19-17-21(5-15-27(19)33-29(35)31-23-7-11-25(37-3)12-8-23)22-6-16-28(20(2)18-22)34-30(36)32-24-9-13-26(38-4)14-10-24/h5-18H,1-4H3,(H2,31,33,35)(H2,32,34,36)

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)=160.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 510.594 g/mol  logS: -7.9673  SlogP: 7.27564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0116135  Sterimol/B1: 2.13834  Sterimol/B2: 2.32916  Sterimol/B3: 4.1939
  Sterimol/B4: 9.34585  Sterimol/L: 28.3256 
 
 Surface and Volume Properties
  Accessible surface: 864.91  Positive charged surface: 561.888  Negative charged surface: 293.378  Volume: 494.875
  Hydrophobic surface: 745.607  Hydrophilic surface: 119.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.