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


PUBCHEM-ZINC06224185

 MMsINC code: MMs03619209
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-3-9(2)11(12(16)17)15-13(18)14-10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-,11-/m1/s1

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)=11.4309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.31728  SlogP: 2.1176  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0557847  Sterimol/B1: 2.67543  Sterimol/B2: 3.01351  Sterimol/B3: 3.95033
  Sterimol/B4: 5.44102  Sterimol/L: 16.2022 
 
 Surface and Volume Properties
  Accessible surface: 507.937  Positive charged surface: 375.029  Negative charged surface: 132.908  Volume: 259.125
  Hydrophobic surface: 345.418  Hydrophilic surface: 162.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03619210
PUBCHEM-ZINC06224185