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


PUBCHEM-ZINC05599100

 MMsINC code: MMs03319089
Type: Neutral
Formula: C14H20ClN
SMILES:   Clc1ccc(cc1)C(N1CCCCC1)CC
InChI:   InChI=1/C14H20ClN/c1-2-14(16-10-4-3-5-11-16)12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11H2,1H3/t14-/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)=37.0297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.774 g/mol  logS: -3.27375  SlogP: 4.3725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151074  Sterimol/B1: 2.41818  Sterimol/B2: 3.38034  Sterimol/B3: 3.51411
  Sterimol/B4: 7.7572  Sterimol/L: 12.943 
 
 Surface and Volume Properties
  Accessible surface: 465.023  Positive charged surface: 298.427  Negative charged surface: 166.596  Volume: 246.5
  Hydrophobic surface: 444.738  Hydrophilic surface: 20.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03319090
PUBCHEM-ZINC05599100