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


PUBCHEM-ZINC00182234

 MMsINC code: MMs02637129
Type: Neutral
Formula: C15H28N2O2
SMILES:   O(CC)C(=O)N1CCC(NC2CCCCCC2)CC1
InChI:   InChI=1/C15H28N2O2/c1-2-19-15(18)17-11-9-14(10-12-17)16-13-7-5-3-4-6-8-13/h13-14,16H,2-12H2,1H3

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)=13.1299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.401 g/mol  logS: -2.36683  SlogP: 2.9197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717346  Sterimol/B1: 2.95085  Sterimol/B2: 3.29132  Sterimol/B3: 4.03211
  Sterimol/B4: 4.45443  Sterimol/L: 17.5162 
 
 Surface and Volume Properties
  Accessible surface: 543.645  Positive charged surface: 439.245  Negative charged surface: 104.4  Volume: 284.875
  Hydrophobic surface: 471.235  Hydrophilic surface: 72.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02637130
PUBCHEM-ZINC00182234