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


PUBCHEM-ZINC05984611

 MMsINC code: MMs03477022
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1CC)C(C)C
InChI:   InChI=1/C13H24N2O3/c1-4-10-7-5-6-8-15(10)13(18)14-11(9(2)3)12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t10-,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)=50.8843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.50806  SlogP: 2.0697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0955864  Sterimol/B1: 2.52815  Sterimol/B2: 3.02088  Sterimol/B3: 4.22141
  Sterimol/B4: 7.47147  Sterimol/L: 13.0475 
 
 Surface and Volume Properties
  Accessible surface: 491.517  Positive charged surface: 365.29  Negative charged surface: 126.227  Volume: 258.625
  Hydrophobic surface: 344.419  Hydrophilic surface: 147.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03477023
PUBCHEM-ZINC05984611