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


PUBCHEM-ZINC03726500

 MMsINC code: MMs03058562
Type: Neutral
Formula: C20H24Cl2N2
SMILES:   Clc1cc(Cl)ccc1C(N1CCNCC1)c1ccc(cc1)C(C)C
InChI:   InChI=1/C20H24Cl2N2/c1-14(2)15-3-5-16(6-4-15)20(24-11-9-23-10-12-24)18-8-7-17(21)13-19(18)22/h3-8,13-14,20,23H,9-12H2,1-2H3/t20-/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)=95.1943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.332 g/mol  logS: -5.91295  SlogP: 5.2069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153226  Sterimol/B1: 3.59464  Sterimol/B2: 4.36811  Sterimol/B3: 5.23141
  Sterimol/B4: 8.83709  Sterimol/L: 14.0187 
 
 Surface and Volume Properties
  Accessible surface: 603.396  Positive charged surface: 370.412  Negative charged surface: 232.984  Volume: 352.75
  Hydrophobic surface: 532.316  Hydrophilic surface: 71.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03058563
PUBCHEM-ZINC03726500