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


NCID-ZINC01673737

 MMsINC code: MMs02309554
Type: Neutral
Formula: C18H34N2O3
SMILES:   O=C(C(CCC(=O)NC(C)(C)C)(CCC(=O)NC(C)(C)C)C)C
InChI:   InChI=1/C18H34N2O3/c1-13(21)18(8,11-9-14(22)19-16(2,3)4)12-10-15(23)20-17(5,6)7/h9-12H2,1-8H3,(H,19,22)(H,20,23)

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)=67.4509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.481 g/mol  logS: -2.36328  SlogP: 2.9715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629317  Sterimol/B1: 2.4405  Sterimol/B2: 2.57259  Sterimol/B3: 5.29805
  Sterimol/B4: 6.20993  Sterimol/L: 19.547 
 
 Surface and Volume Properties
  Accessible surface: 634.998  Positive charged surface: 443.958  Negative charged surface: 191.04  Volume: 349.75
  Hydrophobic surface: 436.537  Hydrophilic surface: 198.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.