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


ENAMINE-ZINC03381708

 MMsINC code: MMs01407343
Type: Neutral
Formula: C20H23N3O6
SMILES:   O=C1N(CC(OCC(=O)NC(=O)NCc2ccccc2)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C20H23N3O6/c24-16(22-20(28)21-10-13-6-2-1-3-7-13)12-29-17(25)11-23-18(26)14-8-4-5-9-15(14)19(23)27/h1-3,6-7,14-15H,4-5,8-12H2,(H2,21,22,24,28)/t14-,15-/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)=29.8456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.419 g/mol  logS: -3.86622  SlogP: 0.9972  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.032261  Sterimol/B1: 2.20783  Sterimol/B2: 3.89836  Sterimol/B3: 4.17627
  Sterimol/B4: 5.85938  Sterimol/L: 22.5743 
 
 Surface and Volume Properties
  Accessible surface: 697.861  Positive charged surface: 449.793  Negative charged surface: 248.068  Volume: 364.75
  Hydrophobic surface: 474.34  Hydrophilic surface: 223.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.