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


ASINEX-ZINC05017421

 MMsINC code: MMs00436553
Type: Neutral
Formula: C20H29ClN4O
SMILES:   Clc1nc2c(cc(OC)cc2)c(N2CCCCC2)c1CNCCN(C)C
InChI:   InChI=1/C20H29ClN4O/c1-24(2)12-9-22-14-17-19(25-10-5-4-6-11-25)16-13-15(26-3)7-8-18(16)23-20(17)21/h7-8,13,22H,4-6,9-12,14H2,1-3H3

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)=151.725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.932 g/mol  logS: -3.3893  SlogP: 3.8047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863237  Sterimol/B1: 2.09382  Sterimol/B2: 5.66707  Sterimol/B3: 5.75901
  Sterimol/B4: 6.37541  Sterimol/L: 18.0164 
 
 Surface and Volume Properties
  Accessible surface: 653.528  Positive charged surface: 503.485  Negative charged surface: 146.686  Volume: 374.125
  Hydrophobic surface: 590.73  Hydrophilic surface: 62.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00436554
ASINEX-ZINC05017421