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


PUBCHEM-ZINC03693040

MMsINC code: MMs03044697

Type: Neutral
Formula: C19H19Cl2F3N2
SMILES:   Clc1c(cccc1Cl)C(N1CCCNCC1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C19H19Cl2F3N2/c20-16-7-2-6-15(17(16)21)18(26-10-3-8-25-9-11-26)13-4-1-5-14(12-13)19(22,23)24/h1-2,4-7,12,18,25H,3,8-11H2/t18-/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)=113.085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.275 g/mol  logS: -5.66691  SlogP: 5.8039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195602  Sterimol/B1: 2.50323  Sterimol/B2: 4.03547  Sterimol/B3: 6.1769
  Sterimol/B4: 8.64166  Sterimol/L: 13.5205 
 
 Surface and Volume Properties
  Accessible surface: 572.654  Positive charged surface: 279.132  Negative charged surface: 293.522  Volume: 340.5
  Hydrophobic surface: 450.397  Hydrophilic surface: 122.257
 
 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


MMs03044698
PUBCHEM-ZINC03693040