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


PUBCHEM-ZINC05336590

 MMsINC code: MMs03243637
Type: Neutral
Formula: C14H19ClN2O2
SMILES:   Clc1cc(C(=O)N2CCN(CC2)C)c(OCC)cc1
InChI:   InChI=1/C14H19ClN2O2/c1-3-19-13-5-4-11(15)10-12(13)14(18)17-8-6-16(2)7-9-17/h4-5,10H,3,6-9H2,1-2H3

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)=81.2294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.771 g/mol  logS: -2.58363  SlogP: 2.1263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139659  Sterimol/B1: 1.969  Sterimol/B2: 3.1748  Sterimol/B3: 4.26786
  Sterimol/B4: 9.94909  Sterimol/L: 12.776 
 
 Surface and Volume Properties
  Accessible surface: 521.845  Positive charged surface: 365.493  Negative charged surface: 156.352  Volume: 270.625
  Hydrophobic surface: 466.582  Hydrophilic surface: 55.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03243638
PUBCHEM-ZINC05336590