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


PUBCHEM-ZINC05997422

 MMsINC code: MMs03481418
Type: Neutral
Formula: C19H23NO4
SMILES:   O(C(=O)c1ccccc1)C1CC2N(C(CC2)C1C(OC)=O)CC=C
InChI:   InChI=1/C19H23NO4/c1-3-11-20-14-9-10-15(20)17(19(22)23-2)16(12-14)24-18(21)13-7-5-4-6-8-13/h3-8,14-17H,1,9-12H2,2H3/t14-,15+,16-,17-/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)=66.2132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.22837  SlogP: 2.4239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122265  Sterimol/B1: 2.25123  Sterimol/B2: 3.86997  Sterimol/B3: 4.26048
  Sterimol/B4: 7.67761  Sterimol/L: 16.7177 
 
 Surface and Volume Properties
  Accessible surface: 588.785  Positive charged surface: 388.426  Negative charged surface: 200.358  Volume: 324.25
  Hydrophobic surface: 481.97  Hydrophilic surface: 106.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03481419
PUBCHEM-ZINC05997422