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


ENAMINE-ZINC03303652

 MMsINC code: MMs01359903
Type: Neutral
Formula: C19H19ClN2O5
SMILES:   Clc1ccc(OCC(OC(C(=O)Nc2ccc(NC(=O)C)cc2)C)=O)cc1
InChI:   InChI=1/C19H19ClN2O5/c1-12(27-18(24)11-26-17-9-3-14(20)4-10-17)19(25)22-16-7-5-15(6-8-16)21-13(2)23/h3-10,12H,11H2,1-2H3,(H,21,23)(H,22,25)/t12-/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)=104.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.823 g/mol  logS: -5.11081  SlogP: 3.2476  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0185768  Sterimol/B1: 2.1795  Sterimol/B2: 2.4468  Sterimol/B3: 3.95529
  Sterimol/B4: 7.22783  Sterimol/L: 23.4898 
 
 Surface and Volume Properties
  Accessible surface: 686.592  Positive charged surface: 368.011  Negative charged surface: 318.581  Volume: 351.25
  Hydrophobic surface: 530.006  Hydrophilic surface: 156.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.