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


PUBCHEM-ZINC02494156

 MMsINC code: MMs02889498
Type: Neutral
Formula: C14H22ClNO
SMILES:   Clc1cc(OCCCCN(CC)CC)ccc1
InChI:   InChI=1/C14H22ClNO/c1-3-16(4-2)10-5-6-11-17-14-9-7-8-13(15)12-14/h7-9,12H,3-6,10-11H2,1-2H3

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)=36.2561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.789 g/mol  logS: -3.1254  SlogP: 3.8408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452115  Sterimol/B1: 2.6652  Sterimol/B2: 3.1349  Sterimol/B3: 3.78181
  Sterimol/B4: 6.10819  Sterimol/L: 15.9545 
 
 Surface and Volume Properties
  Accessible surface: 542.943  Positive charged surface: 347.836  Negative charged surface: 195.107  Volume: 269
  Hydrophobic surface: 492.271  Hydrophilic surface: 50.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02889499
PUBCHEM-ZINC02494156