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


ENAMINE-ZINC03419106

 MMsINC code: MMs01430808
Type: Neutral
Formula: C17H23NO4
SMILES:   O(C(=O)c1ccc(cc1)CO)CC(=O)NC1CCC(CC1)C
InChI:   InChI=1/C17H23NO4/c1-12-2-8-15(9-3-12)18-16(20)11-22-17(21)14-6-4-13(10-19)5-7-14/h4-7,12,15,19H,2-3,8-11H2,1H3,(H,18,20)/t12-,15+

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)=56.5017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.374 g/mol  logS: -3.69656  SlogP: 2.297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408844  Sterimol/B1: 2.79213  Sterimol/B2: 2.83976  Sterimol/B3: 5.09391
  Sterimol/B4: 5.18173  Sterimol/L: 19.1724 
 
 Surface and Volume Properties
  Accessible surface: 583.608  Positive charged surface: 403.959  Negative charged surface: 179.65  Volume: 302.125
  Hydrophobic surface: 424.541  Hydrophilic surface: 159.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.