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


NCID-ZINC04706111

 MMsINC code: MMs02394769
Type: Neutral
Formula: C16H30N4O2
SMILES:   O=C(NCCCCCCCCCCNC(=O)N1CC1)N1CC1
InChI:   InChI=1/C16H30N4O2/c21-15(19-11-12-19)17-9-7-5-3-1-2-4-6-8-10-18-16(22)20-13-14-20/h1-14H2,(H,17,21)(H,18,22)

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)=48.9445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.442 g/mol  logS: -2.57178  SlogP: 2.1576  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00987672  Sterimol/B1: 2.41047  Sterimol/B2: 2.41435  Sterimol/B3: 3.64259
  Sterimol/B4: 3.79876  Sterimol/L: 25.2401 
 
 Surface and Volume Properties
  Accessible surface: 708.049  Positive charged surface: 533.824  Negative charged surface: 174.225  Volume: 332.75
  Hydrophobic surface: 589.958  Hydrophilic surface: 118.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.