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


ASINEX-ZINC00211253

 MMsINC code: MMs00093283
Type: Neutral
Formula: C15H14ClNO3
SMILES:   Clc1cc(NCc2cc3OCOc3cc2)ccc1OC
InChI:   InChI=1/C15H14ClNO3/c1-18-13-5-3-11(7-12(13)16)17-8-10-2-4-14-15(6-10)20-9-19-14/h2-7,17H,8-9H2,1H3

Download   format file 
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)=76.5985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.734 g/mol  logS: -3.68901  SlogP: 3.9558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537162  Sterimol/B1: 2.79437  Sterimol/B2: 3.28381  Sterimol/B3: 4.13047
  Sterimol/B4: 5.61267  Sterimol/L: 17.5304 
 
 Surface and Volume Properties
  Accessible surface: 524.333  Positive charged surface: 327.239  Negative charged surface: 197.093  Volume: 262.125
  Hydrophobic surface: 445.912  Hydrophilic surface: 78.421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.