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


ENAMINE-ZINC03456853

 MMsINC code: MMs01454559
Type: Neutral
Formula: C19H24ClN3O3
SMILES:   Clc1ccc(cc1)C1(NC(=O)N(CC(=O)NCC2CCCCC2)C1=O)C
InChI:   InChI=1/C19H24ClN3O3/c1-19(14-7-9-15(20)10-8-14)17(25)23(18(26)22-19)12-16(24)21-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,21,24)(H,22,26)/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)=39.4828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.872 g/mol  logS: -5.21083  SlogP: 3.115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437468  Sterimol/B1: 2.29051  Sterimol/B2: 2.29258  Sterimol/B3: 5.70721
  Sterimol/B4: 6.15675  Sterimol/L: 20.0724 
 
 Surface and Volume Properties
  Accessible surface: 641.82  Positive charged surface: 387.84  Negative charged surface: 253.98  Volume: 349.5
  Hydrophobic surface: 504.569  Hydrophilic surface: 137.251
 
 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.