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


CHEMBRIDGE-ZINC01227470

 MMsINC code: MMs00691242
Type: Tautomer
Formula: C19H22Cl2N2
SMILES:   Clc1cc(Cl)ccc1CN1CCN(CC1)c1cccc(C)c1C
InChI:   InChI=1/C19H22Cl2N2/c1-14-4-3-5-19(15(14)2)23-10-8-22(9-11-23)13-16-6-7-17(20)12-18(16)21/h3-7,12H,8-11,13H2,1-2H3

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)=136.823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.305 g/mol  logS: -5.22989  SlogP: 5.19884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105993  Sterimol/B1: 3.26052  Sterimol/B2: 3.65432  Sterimol/B3: 5.2283
  Sterimol/B4: 5.53682  Sterimol/L: 17.248 
 
 Surface and Volume Properties
  Accessible surface: 591.883  Positive charged surface: 330.6  Negative charged surface: 261.283  Volume: 334
  Hydrophobic surface: 576.204  Hydrophilic surface: 15.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs00691241
CHEMBRIDGE-ZINC01227470