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


VITASM-ZINC04600281

 MMsINC code: MMs03953756
Type: Neutral
Formula: C15H28N2O2
SMILES:   O=C(NC1CCCCC1)CCC(=O)NCCC(C)C
InChI:   InChI=1/C15H28N2O2/c1-12(2)10-11-16-14(18)8-9-15(19)17-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,16,18)(H,17,19)

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)=6.93484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.401 g/mol  logS: -2.73008  SlogP: 2.3778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304299  Sterimol/B1: 1.969  Sterimol/B2: 3.07713  Sterimol/B3: 3.96322
  Sterimol/B4: 4.65114  Sterimol/L: 19.971 
 
 Surface and Volume Properties
  Accessible surface: 581.399  Positive charged surface: 450.67  Negative charged surface: 130.728  Volume: 292
  Hydrophobic surface: 451.706  Hydrophilic surface: 129.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.