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


PUBCHEM-ZINC02181831

 MMsINC code: MMs02882377
Type: Neutral
Formula: C15H27N3O
SMILES:   OCCNCCNCc1ccc(N(CC)CC)cc1
InChI:   InChI=1/C15H27N3O/c1-3-18(4-2)15-7-5-14(6-8-15)13-17-10-9-16-11-12-19/h5-8,16-17,19H,3-4,9-13H2,1-2H3

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)=57.7676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.401 g/mol  logS: -1.27161  SlogP: 1.4707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444977  Sterimol/B1: 2.16694  Sterimol/B2: 3.24625  Sterimol/B3: 3.99271
  Sterimol/B4: 6.72355  Sterimol/L: 18.4753 
 
 Surface and Volume Properties
  Accessible surface: 589.947  Positive charged surface: 463.153  Negative charged surface: 126.794  Volume: 294.875
  Hydrophobic surface: 438.67  Hydrophilic surface: 151.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02882378
PUBCHEM-ZINC02181831