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


PUBCHEM-ZINC03724875

 MMsINC code: MMs03057610
Type: Neutral
Formula: C19H22Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)C(N1CCNCC1)c1ccc(OC)cc1OC
InChI:   InChI=1/C19H22Cl2N2O2/c1-24-14-4-5-15(18(12-14)25-2)19(23-9-7-22-8-10-23)13-3-6-16(20)17(21)11-13/h3-6,11-12,19,22H,7-10H2,1-2H3/t19-/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)=124.316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.303 g/mol  logS: -4.50935  SlogP: 4.1007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28085  Sterimol/B1: 3.81395  Sterimol/B2: 4.48614  Sterimol/B3: 5.91354
  Sterimol/B4: 8.83747  Sterimol/L: 13.8055 
 
 Surface and Volume Properties
  Accessible surface: 611.114  Positive charged surface: 411.109  Negative charged surface: 200.005  Volume: 352
  Hydrophobic surface: 566.961  Hydrophilic surface: 44.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs03057611
PUBCHEM-ZINC03724875