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


ENAMINE-ZINC02650084

 MMsINC code: MMs01274771
Type: Neutral
Formula: C19H20Cl2N2O2
SMILES:   Clc1cc(NC(=O)C(NCC2OCCC2)c2ccccc2)cc(Cl)c1
InChI:   InChI=1/C19H20Cl2N2O2/c20-14-9-15(21)11-16(10-14)23-19(24)18(13-5-2-1-3-6-13)22-12-17-7-4-8-25-17/h1-3,5-6,9-11,17-18,22H,4,7-8,12H2,(H,23,24)/t17-,18-/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)=94.9991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.287 g/mol  logS: -5.28541  SlogP: 4.5373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117796  Sterimol/B1: 2.49324  Sterimol/B2: 4.21226  Sterimol/B3: 4.62889
  Sterimol/B4: 8.48527  Sterimol/L: 17.4836 
 
 Surface and Volume Properties
  Accessible surface: 644.87  Positive charged surface: 352.476  Negative charged surface: 292.394  Volume: 348.625
  Hydrophobic surface: 597.647  Hydrophilic surface: 47.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.