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


ASINEX-ZINC04930677

 MMsINC code: MMs00405016
Type: Neutral
Formula: C24H33N3O2
SMILES:   O(CCCC)c1ccc(NC(=O)CN2CC(N(CC2)c2cc(ccc2)C)C)cc1
InChI:   InChI=1/C24H33N3O2/c1-4-5-15-29-23-11-9-21(10-12-23)25-24(28)18-26-13-14-27(20(3)17-26)22-8-6-7-19(2)16-22/h6-12,16,20H,4-5,13-15,17-18H2,1-3H3,(H,25,28)/t20-/m1/s1

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)=179.424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.547 g/mol  logS: -5.25116  SlogP: 4.32312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031314  Sterimol/B1: 3.64591  Sterimol/B2: 3.98408  Sterimol/B3: 4.27665
  Sterimol/B4: 6.16112  Sterimol/L: 23.3783 
 
 Surface and Volume Properties
  Accessible surface: 755.241  Positive charged surface: 542.138  Negative charged surface: 213.103  Volume: 412.75
  Hydrophobic surface: 661.032  Hydrophilic surface: 94.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00405017
ASINEX-ZINC04930677