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


PUBCHEM-ZINC00569301

 MMsINC code: MMs02705814
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1ccc(NC(=O)CCC)cc1NC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C18H19ClN2O3/c1-3-4-17(22)20-13-7-10-15(19)16(11-13)21-18(23)12-5-8-14(24-2)9-6-12/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23)

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)=95.146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -5.06598  SlogP: 4.3395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0138058  Sterimol/B1: 2.84397  Sterimol/B2: 2.94184  Sterimol/B3: 3.1043
  Sterimol/B4: 7.71295  Sterimol/L: 20.7668 
 
 Surface and Volume Properties
  Accessible surface: 613.22  Positive charged surface: 377.808  Negative charged surface: 235.411  Volume: 322.75
  Hydrophobic surface: 505.66  Hydrophilic surface: 107.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.