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


PUBCHEM-ZINC03739890

 MMsINC code: MMs03066079
Type: Neutral
Formula: C19H20Cl2N2O
SMILES:   Clc1c2c([nH]c(-c3ccc(OC)cc3)c2CCCCN)c(Cl)cc1
InChI:   InChI=1/C19H20Cl2N2O/c1-24-13-7-5-12(6-8-13)18-14(4-2-3-11-22)17-15(20)9-10-16(21)19(17)23-18/h5-10,23H,2-4,11,22H2,1H3

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)=63.9072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.288 g/mol  logS: -5.71885  SlogP: 5.43167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099946  Sterimol/B1: 2.68366  Sterimol/B2: 4.42153  Sterimol/B3: 6.00634
  Sterimol/B4: 8.55543  Sterimol/L: 15.9675 
 
 Surface and Volume Properties
  Accessible surface: 611.65  Positive charged surface: 363.184  Negative charged surface: 243.457  Volume: 338.75
  Hydrophobic surface: 517.837  Hydrophilic surface: 93.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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:  
   

Ions/Tautomers related molecules


MMs03066080
PUBCHEM-ZINC03739890