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


PUBCHEM-ZINC06358114

 MMsINC code: MMs03684487
Type: Neutral
Formula: C15H26N2O3
SMILES:   OC(=O)C(NC(=O)NCCC=1CCCCC=1)CC(C)C
InChI:   InChI=1/C15H26N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/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)=8.41676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -3.12694  SlogP: 2.6754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0515512  Sterimol/B1: 1.969  Sterimol/B2: 2.89499  Sterimol/B3: 4.8628
  Sterimol/B4: 6.88621  Sterimol/L: 17.0529 
 
 Surface and Volume Properties
  Accessible surface: 577.962  Positive charged surface: 415.595  Negative charged surface: 162.366  Volume: 291.75
  Hydrophobic surface: 383.398  Hydrophilic surface: 194.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03684488
PUBCHEM-ZINC06358114