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


NCID-ZINC04353145

 MMsINC code: MMs02383574
Type: Neutral
Formula: C24H30ClN3O
SMILES:   Clc1cc2nc3c(cc(OC)cc3)c(NCCCCCN3CCCCC3)c2cc1
InChI:   InChI=1/C24H30ClN3O/c1-29-19-9-11-22-21(17-19)24(20-10-8-18(25)16-23(20)27-22)26-12-4-2-5-13-28-14-6-3-7-15-28/h8-11,16-17H,2-7,12-15H2,1H3,(H,26,27)

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)=122.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.977 g/mol  logS: -5.65858  SlogP: 6.1181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314268  Sterimol/B1: 2.3979  Sterimol/B2: 3.4104  Sterimol/B3: 3.43101
  Sterimol/B4: 13.1427  Sterimol/L: 18.7694 
 
 Surface and Volume Properties
  Accessible surface: 730.487  Positive charged surface: 507.908  Negative charged surface: 214.315  Volume: 413
  Hydrophobic surface: 674.092  Hydrophilic surface: 56.395
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02383575
NCID-ZINC04353145