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


NCID-ZINC01278370

 MMsINC code: MMs02218475
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C(NC1CC(CC=C1C)C(NC(=O)C)(C)C)C
InChI:   InChI=1/C14H24N2O2/c1-9-6-7-12(8-13(9)15-10(2)17)14(4,5)16-11(3)18/h6,12-13H,7-8H2,1-5H3,(H,15,17)(H,16,18)/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)=48.0667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -1.43645  SlogP: 1.7621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804959  Sterimol/B1: 2.51205  Sterimol/B2: 3.26569  Sterimol/B3: 3.67064
  Sterimol/B4: 6.15095  Sterimol/L: 15.3458 
 
 Surface and Volume Properties
  Accessible surface: 495.394  Positive charged surface: 327.827  Negative charged surface: 167.568  Volume: 262.375
  Hydrophobic surface: 371.627  Hydrophilic surface: 123.767
 
 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.