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


ENAMINE-ZINC05216610

 MMsINC code: MMs01600685
Type: Neutral
Formula: C24H26N2O4
SMILES:   O(C)c1ccccc1CN(C(=O)COC(=O)c1cc2c3CCCCc3[nH]c2cc1)C
InChI:   InChI=1/C24H26N2O4/c1-26(14-17-7-3-6-10-22(17)29-2)23(27)15-30-24(28)16-11-12-21-19(13-16)18-8-4-5-9-20(18)25-21/h3,6-7,10-13,25H,4-5,8-9,14-15H2,1-2H3

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)=98.6275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.482 g/mol  logS: -5.03018  SlogP: 4.13704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357038  Sterimol/B1: 2.22831  Sterimol/B2: 3.37977  Sterimol/B3: 4.37418
  Sterimol/B4: 8.05539  Sterimol/L: 20.8328 
 
 Surface and Volume Properties
  Accessible surface: 697.021  Positive charged surface: 510.373  Negative charged surface: 181.223  Volume: 396.25
  Hydrophobic surface: 605.44  Hydrophilic surface: 91.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.