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


CHEMBRIDGE-ZINC00307152

 MMsINC code: MMs00605402
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C(NCC(=O)NC1CCCCC1)C1CCCCC1
InChI:   InChI=1/C15H26N2O2/c18-14(17-13-9-5-2-6-10-13)11-16-15(19)12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,19)(H,17,18)

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)=22.5768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -3.26134  SlogP: 2.1318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462996  Sterimol/B1: 3.10688  Sterimol/B2: 3.11304  Sterimol/B3: 4.10649
  Sterimol/B4: 4.7326  Sterimol/L: 17.453 
 
 Surface and Volume Properties
  Accessible surface: 536.378  Positive charged surface: 423.506  Negative charged surface: 112.873  Volume: 278.125
  Hydrophobic surface: 452.648  Hydrophilic surface: 83.73
 
 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: no related molecules available.