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


PUBCHEM-ZINC02896450

 MMsINC code: MMs02955804
Type: Neutral
Formula: C30H24N2O6
SMILES:   OC(=O)c1cc(ccc1NC(=O)c1ccccc1C)-c1cc(C(O)=O)c(NC(=O)c2ccccc2
C)cc1
InChI:   InChI=1/C30H24N2O6/c1-17-7-3-5-9-21(17)27(33)31-25-13-11-19(15-23(25)29(35)36)20-12-14-26(24(16-20)30(37)38)32-28(34)22-10-6-4-8-18(22)2/h3-16H,1-2H3,(H,31,33)(H,32,34)(H,35,36)(H,37,38)

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)=176.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 508.53 g/mol  logS: -8.63788  SlogP: 5.87144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174903  Sterimol/B1: 2.48105  Sterimol/B2: 3.89253  Sterimol/B3: 4.05883
  Sterimol/B4: 8.3962  Sterimol/L: 24.8198 
 
 Surface and Volume Properties
  Accessible surface: 796.731  Positive charged surface: 440.899  Negative charged surface: 344.943  Volume: 470.25
  Hydrophobic surface: 588.009  Hydrophilic surface: 208.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs02955805
PUBCHEM-ZINC02896450