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


ENAMINE-ZINC02630694

 MMsINC code: MMs01261999
Type: Neutral
Formula: C19H20ClNO3
SMILES:   Clc1cc(ccc1)CNC(=O)CCCOc1ccc(cc1)C(=O)C
InChI:   InChI=1/C19H20ClNO3/c1-14(22)16-7-9-18(10-8-16)24-11-3-6-19(23)21-13-15-4-2-5-17(20)12-15/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,23)

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)=56.8608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.826 g/mol  logS: -4.50598  SlogP: 4.2844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254865  Sterimol/B1: 1.969  Sterimol/B2: 3.66207  Sterimol/B3: 4.69283
  Sterimol/B4: 6.51934  Sterimol/L: 20.7841 
 
 Surface and Volume Properties
  Accessible surface: 651.654  Positive charged surface: 364.486  Negative charged surface: 287.169  Volume: 329.5
  Hydrophobic surface: 550.183  Hydrophilic surface: 101.471
 
 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.