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


PUBCHEM-ZINC05900022

 MMsINC code: MMs03435546
Type: Neutral
Formula: C14H26N2O2
SMILES:   O=C(NC1CC(CC(C1)(C)C)(CNC(=O)C)C)C
InChI:   InChI=1/C14H26N2O2/c1-10(17)15-9-14(5)7-12(16-11(2)18)6-13(3,4)8-14/h12H,6-9H2,1-5H3,(H,15,17)(H,16,18)/t12-,14-/m0/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)=46.0446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -2.21486  SlogP: 1.8436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153505  Sterimol/B1: 3.60255  Sterimol/B2: 3.63076  Sterimol/B3: 4.30039
  Sterimol/B4: 6.96208  Sterimol/L: 13.3501 
 
 Surface and Volume Properties
  Accessible surface: 505.165  Positive charged surface: 349.216  Negative charged surface: 155.949  Volume: 269.125
  Hydrophobic surface: 365.671  Hydrophilic surface: 139.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.