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


ASINEX-ZINC00630670

MMsINC code: MMs00143407

Type: Neutral
Formula: C24H22ClNO3
SMILES:   Clc1ccccc1C1N(C(=O)Cc2c1cc(OC)c(OC)c2)c1ccc(cc1)C
InChI:   InChI=1/C24H22ClNO3/c1-15-8-10-17(11-9-15)26-23(27)13-16-12-21(28-2)22(29-3)14-19(16)24(26)18-6-4-5-7-20(18)25/h4-12,14,24H,13H2,1-3H3/t24-/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)=148.207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.897 g/mol  logS: -6.50962  SlogP: 5.43979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22607  Sterimol/B1: 3.54071  Sterimol/B2: 3.70013  Sterimol/B3: 6.62883
  Sterimol/B4: 7.13884  Sterimol/L: 16.8261 
 
 Surface and Volume Properties
  Accessible surface: 643.263  Positive charged surface: 410.283  Negative charged surface: 232.979  Volume: 386.5
  Hydrophobic surface: 594.956  Hydrophilic surface: 48.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.