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


PUBCHEM-ZINC02727466

 MMsINC code: MMs02912526
Type: Neutral
Formula: C15H29NO
SMILES:   O=C(N(CCCC)CC)CCC1CCCCC1
InChI:   InChI=1/C15H29NO/c1-3-5-13-16(4-2)15(17)12-11-14-9-7-6-8-10-14/h14H,3-13H2,1-2H3

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)=14.7217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.403 g/mol  logS: -4.22694  SlogP: 3.9955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803427  Sterimol/B1: 2.3703  Sterimol/B2: 3.34492  Sterimol/B3: 4.48314
  Sterimol/B4: 7.56245  Sterimol/L: 16.349 
 
 Surface and Volume Properties
  Accessible surface: 534.051  Positive charged surface: 421.186  Negative charged surface: 112.864  Volume: 278.625
  Hydrophobic surface: 464.133  Hydrophilic surface: 69.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.