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


PUBCHEM-ZINC03692762

 MMsINC code: MMs03044611
Type: Neutral
Formula: C20H24Cl2N2O
SMILES:   Clc1cc(C(N2CCCNCC2)c2cc(Cl)ccc2)c(OCC)cc1
InChI:   InChI=1/C20H24Cl2N2O/c1-2-25-19-8-7-17(22)14-18(19)20(15-5-3-6-16(21)13-15)24-11-4-9-23-10-12-24/h3,5-8,13-14,20,23H,2,4,9-12H2,1H3/t20-/m1/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)=94.2619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.331 g/mol  logS: -4.98795  SlogP: 4.8723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298442  Sterimol/B1: 2.40872  Sterimol/B2: 5.10284  Sterimol/B3: 6.69676
  Sterimol/B4: 7.55265  Sterimol/L: 13.6679 
 
 Surface and Volume Properties
  Accessible surface: 609.093  Positive charged surface: 361.479  Negative charged surface: 247.615  Volume: 358
  Hydrophobic surface: 564.75  Hydrophilic surface: 44.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03044612
PUBCHEM-ZINC03692762