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


PUBCHEM-ZINC04762746

 MMsINC code: MMs03167806
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)C(N)CCCC)CCC
InChI:   InChI=1/C11H22N2O3/c1-3-5-7-8(12)10(14)13-9(6-4-2)11(15)16/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1

Download   format file 
Drug Similarity  |  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)=34.7643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -2.05393  SlogP: 0.8734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112721  Sterimol/B1: 2.30871  Sterimol/B2: 3.85237  Sterimol/B3: 5.5772
  Sterimol/B4: 5.87229  Sterimol/L: 14.9156 
 
 Surface and Volume Properties
  Accessible surface: 493.13  Positive charged surface: 355.342  Negative charged surface: 137.788  Volume: 237.625
  Hydrophobic surface: 280.66  Hydrophilic surface: 212.47
 
 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.