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


SIAL-ZINC05349856

 MMsINC code: MMs03929968
Type: Neutral
Formula: C23H24Cl2N4O2
SMILES:   Clc1cc(N2CCN(CC2)CCCNC(=O)c2nc3c(cc(Cl)cc3)c(O)c2)ccc1
InChI:   InChI=1/C23H24Cl2N4O2/c24-16-3-1-4-18(13-16)29-11-9-28(10-12-29)8-2-7-26-23(31)21-15-22(30)19-14-17(25)5-6-20(19)27-21/h1,3-6,13-15H,2,7-12H2,(H,26,31)(H,27,30)

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)=153.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.377 g/mol  logS: -5.34935  SlogP: 4.1893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234634  Sterimol/B1: 2.5624  Sterimol/B2: 3.53362  Sterimol/B3: 5.51427
  Sterimol/B4: 7.0911  Sterimol/L: 22.5469 
 
 Surface and Volume Properties
  Accessible surface: 755.369  Positive charged surface: 430.513  Negative charged surface: 319.435  Volume: 413.75
  Hydrophobic surface: 626.17  Hydrophilic surface: 129.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03929969
SIAL-ZINC05349856