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


ASINEX-ZINC00280741

 MMsINC code: MMs00107120
Type: Neutral
Formula: C16H28N2O4
SMILES:   OC(C(O)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C16H28N2O4/c19-13(15(21)17-11-7-3-1-4-8-11)14(20)16(22)18-12-9-5-2-6-10-12/h11-14,19-20H,1-10H2,(H,17,21)(H,18,22)/t13-,14+

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)=43.133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.41 g/mol  logS: -2.47288  SlogP: 0.606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313176  Sterimol/B1: 2.85929  Sterimol/B2: 3.3362  Sterimol/B3: 3.52565
  Sterimol/B4: 3.70881  Sterimol/L: 18.8727 
 
 Surface and Volume Properties
  Accessible surface: 577.726  Positive charged surface: 433.655  Negative charged surface: 144.072  Volume: 308.875
  Hydrophobic surface: 449.984  Hydrophilic surface: 127.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.