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


PUBCHEM-ZINC06205161

 MMsINC code: MMs03612850
Type: Neutral
Formula: C14H29N3O
SMILES:   O=C(NC1CCCCC1)NCCCN(CC)CC
InChI:   InChI=1/C14H29N3O/c1-3-17(4-2)12-8-11-15-14(18)16-13-9-6-5-7-10-13/h13H,3-12H2,1-2H3,(H2,15,16,18)

Download   format file 
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)=-10.5717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.406 g/mol  logS: -1.82955  SlogP: 2.3502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0303543  Sterimol/B1: 2.14504  Sterimol/B2: 2.62362  Sterimol/B3: 3.6532
  Sterimol/B4: 6.64567  Sterimol/L: 17.6716 
 
 Surface and Volume Properties
  Accessible surface: 566.079  Positive charged surface: 459.392  Negative charged surface: 106.687  Volume: 285.25
  Hydrophobic surface: 457.729  Hydrophilic surface: 108.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03612851
PUBCHEM-ZINC06205161