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


CHEMBRIDGE-ZINC02947594

 MMsINC code: MMs00743042
Type: Neutral
Formula: C23H24N2O5
SMILES:   O(CCOc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C23H24N2O5/c1-23(2,3)16-6-10-18(11-7-16)30-13-12-29-17-8-4-15(5-9-17)14-19-20(26)24-22(28)25-21(19)27/h4-11,14H,12-13H2,1-3H3,(H2,24,25,26,27,28)

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)=81.635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -6.72578  SlogP: 3.1913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204845  Sterimol/B1: 2.10793  Sterimol/B2: 4.12962  Sterimol/B3: 4.18585
  Sterimol/B4: 4.705  Sterimol/L: 22.4164 
 
 Surface and Volume Properties
  Accessible surface: 699.549  Positive charged surface: 437.038  Negative charged surface: 262.511  Volume: 384.375
  Hydrophobic surface: 456.961  Hydrophilic surface: 242.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.