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


PUBCHEM-ZINC00447902

 MMsINC code: MMs02685477
Type: Neutral
Formula: C18H18Cl2N2O
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)Cc1ccc(Cl)cc1
InChI:   InChI=1/C18H18Cl2N2O/c19-16-6-4-14(5-7-16)13-21-8-10-22(11-9-21)18(23)15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2

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)=95.1939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.261 g/mol  logS: -4.70823  SlogP: 4.2178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882637  Sterimol/B1: 2.30716  Sterimol/B2: 3.45657  Sterimol/B3: 4.96502
  Sterimol/B4: 6.97836  Sterimol/L: 16.6075 
 
 Surface and Volume Properties
  Accessible surface: 585.304  Positive charged surface: 302.015  Negative charged surface: 283.289  Volume: 317.625
  Hydrophobic surface: 544.607  Hydrophilic surface: 40.697
 
 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


MMs02685478
PUBCHEM-ZINC00447902