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


CHEMDIV-ZINC06877554

 MMsINC code: MMs01052982
Type: Neutral
Formula: C24H26ClN3O2
SMILES:   Clc1ccccc1NC(=O)N(Cc1occc1)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C24H26ClN3O2/c25-22-10-4-5-11-23(22)26-24(29)28(18-21-9-6-16-30-21)20-12-14-27(15-13-20)17-19-7-2-1-3-8-19/h1-11,16,20H,12-15,17-18H2,(H,26,29)

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)=79.6615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.944 g/mol  logS: -5.79413  SlogP: 6.1645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173665  Sterimol/B1: 2.7681  Sterimol/B2: 4.81416  Sterimol/B3: 6.76379
  Sterimol/B4: 8.08867  Sterimol/L: 16.138 
 
 Surface and Volume Properties
  Accessible surface: 698.856  Positive charged surface: 395.135  Negative charged surface: 303.721  Volume: 408.875
  Hydrophobic surface: 666.132  Hydrophilic surface: 32.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01052983
CHEMDIV-ZINC06877554