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


PUBCHEM-ZINC06042803

 MMsINC code: MMs03509441
Type: Neutral
Formula: C15H29NO3
SMILES:   O(C(=O)C(NC(=O)C(CCCC)CC)CC(C)C)C
InChI:   InChI=1/C15H29NO3/c1-6-8-9-12(7-2)14(17)16-13(10-11(3)4)15(18)19-5/h11-13H,6-10H2,1-5H3,(H,16,17)/t12-,13+/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)=43.2333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.401 g/mol  logS: -4.20248  SlogP: 2.9067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779832  Sterimol/B1: 3.29816  Sterimol/B2: 3.5332  Sterimol/B3: 4.4439
  Sterimol/B4: 6.69537  Sterimol/L: 15.1186 
 
 Surface and Volume Properties
  Accessible surface: 571.235  Positive charged surface: 435.203  Negative charged surface: 136.033  Volume: 299.5
  Hydrophobic surface: 441.324  Hydrophilic surface: 129.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.