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


ENAMINE-ZINC05216261

 MMsINC code: MMs01600358
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C)c1ccccc1CN(C(=O)COC(=O)c1c2CCCc2nc2c1cccc2)C
InChI:   InChI=1/C24H24N2O4/c1-26(14-16-8-3-6-13-21(16)29-2)22(27)15-30-24(28)23-17-9-4-5-11-19(17)25-20-12-7-10-18(20)23/h3-6,8-9,11,13H,7,10,12,14-15H2,1-2H3

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)=121.14 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -4.8136  SlogP: 3.81384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995278  Sterimol/B1: 2.37757  Sterimol/B2: 3.20905  Sterimol/B3: 6.05071
  Sterimol/B4: 8.24258  Sterimol/L: 17.4905 
 
 Surface and Volume Properties
  Accessible surface: 688.301  Positive charged surface: 468.612  Negative charged surface: 214.85  Volume: 392.375
  Hydrophobic surface: 613.021  Hydrophilic surface: 75.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.