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


IBS-ZINC06759456

 MMsINC code: MMs01969700
Type: Neutral
Formula: C24H27ClN2O3
SMILES:   Clc1ccc(cc1)C=1C(=O)c2c(OC=1C)cc(OCCN1CCN(CC1)CC)cc2
InChI:   InChI=1/C24H27ClN2O3/c1-3-26-10-12-27(13-11-26)14-15-29-20-8-9-21-22(16-20)30-17(2)23(24(21)28)18-4-6-19(25)7-5-18/h4-9,16H,3,10-15H2,1-2H3

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)=129.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.944 g/mol  logS: -5.62194  SlogP: 4.3626  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0527853  Sterimol/B1: 2.41758  Sterimol/B2: 4.00205  Sterimol/B3: 4.38056
  Sterimol/B4: 6.87806  Sterimol/L: 23.0499 
 
 Surface and Volume Properties
  Accessible surface: 730.731  Positive charged surface: 475.662  Negative charged surface: 255.069  Volume: 410.5
  Hydrophobic surface: 669.209  Hydrophilic surface: 61.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs01969701
IBS-ZINC06759456