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


ENAMINE-ZINC03595152

 MMsINC code: MMs01519697
Type: Neutral
Formula: C19H23Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1C1(NC(=O)N(CC(=O)NCC2CCCCC2)C1=O)C
InChI:   InChI=1/C19H23Cl2N3O3/c1-19(14-8-7-13(20)9-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,22,25)(H,23,27)/t19-/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)=55.3704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.317 g/mol  logS: -5.94512  SlogP: 3.7684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537865  Sterimol/B1: 2.36689  Sterimol/B2: 2.55617  Sterimol/B3: 5.41887
  Sterimol/B4: 5.86534  Sterimol/L: 20.4083 
 
 Surface and Volume Properties
  Accessible surface: 648.462  Positive charged surface: 372.56  Negative charged surface: 275.902  Volume: 364.25
  Hydrophobic surface: 516.39  Hydrophilic surface: 132.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.