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


NCID-ZINC01755082

 MMsINC code: MMs02364211
Type: Neutral
Formula: C23H35N3O2
SMILES:   O(C)c1ccc(cc1)CN(CCN(CCN(Cc1ccc(OC)cc1)C)C)C
InChI:   InChI=1/C23H35N3O2/c1-24(14-16-25(2)18-20-6-10-22(27-4)11-7-20)15-17-26(3)19-21-8-12-23(28-5)13-9-21/h6-13H,14-19H2,1-5H3

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)=122.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.552 g/mol  logS: -2.92077  SlogP: 3.7322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339691  Sterimol/B1: 1.969  Sterimol/B2: 3.49736  Sterimol/B3: 3.8585
  Sterimol/B4: 8.18389  Sterimol/L: 24.0028 
 
 Surface and Volume Properties
  Accessible surface: 745.638  Positive charged surface: 610.186  Negative charged surface: 135.452  Volume: 416.25
  Hydrophobic surface: 709.014  Hydrophilic surface: 36.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs02364212
NCID-ZINC01755082