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


PUBCHEM-ZINC06050252

 MMsINC code: MMs03514868
Type: Neutral
Formula: C24H34N2O5
SMILES:   O1CC(NC(=O)C(C\C=C\CCCC1=O)CC(=O)N(Cc1ccccc1)CCO)(C)C
InChI:   InChI=1/C24H34N2O5/c1-24(2)18-31-22(29)13-9-4-3-8-12-20(23(30)25-24)16-21(28)26(14-15-27)17-19-10-6-5-7-11-19/h3,5-8,10-11,20,27H,4,9,12-18H2,1-2H3,(H,25,30)/b8-3+/t20-/m0/s1

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)=78.6554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.545 g/mol  logS: -2.91168  SlogP: 2.8484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203855  Sterimol/B1: 2.77647  Sterimol/B2: 4.35332  Sterimol/B3: 6.91922
  Sterimol/B4: 8.08541  Sterimol/L: 17.482 
 
 Surface and Volume Properties
  Accessible surface: 696.74  Positive charged surface: 482.568  Negative charged surface: 214.173  Volume: 433
  Hydrophobic surface: 548.128  Hydrophilic surface: 148.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.