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


FDA-ZINC01530630

 MMsINC code: MMs01725504
Type: Neutral
Formula: C10H24N2O2
SMILES:   OCC(NCCNC(CC)CO)CC
InChI:   InChI=1/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1

Download   format file 
Drug Similarity  |  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)=38.5689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.314 g/mol  logS: 0.2227  SlogP: -0.2926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0621207  Sterimol/B1: 2.62201  Sterimol/B2: 2.81869  Sterimol/B3: 3.88131
  Sterimol/B4: 5.37197  Sterimol/L: 13.6616 
 
 Surface and Volume Properties
  Accessible surface: 479.805  Positive charged surface: 392.197  Negative charged surface: 87.6081  Volume: 228
  Hydrophobic surface: 323.751  Hydrophilic surface: 156.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs01725505
FDA-ZINC01530630