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


AURORAFEINCHEMIE-ZINC05348967

 MMsINC code: MMs00474644
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)N1CC(CC(C1)C)C)C(C)C
InChI:   InChI=1/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-6-9(3)5-10(4)7-15/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)/t9-,10-,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)=33.3453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.38262  SlogP: 1.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081777  Sterimol/B1: 2.25053  Sterimol/B2: 2.53821  Sterimol/B3: 4.37248
  Sterimol/B4: 6.05457  Sterimol/L: 13.574 
 
 Surface and Volume Properties
  Accessible surface: 483.956  Positive charged surface: 354.404  Negative charged surface: 129.552  Volume: 257.5
  Hydrophobic surface: 309.987  Hydrophilic surface: 173.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00474645
AURORAFEINCHEMIE-ZINC05348967