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


CHEMDIV-ZINC06867021

 MMsINC code: MMs01048770
Type: Neutral
Formula: C18H34N4O4
SMILES:   O1CCN(CC1)CCN(C(=O)NCCCOC)C1CCN(CC1)C(=O)C
InChI:   InChI=1/C18H34N4O4/c1-16(23)21-7-4-17(5-8-21)22(18(24)19-6-3-13-25-2)10-9-20-11-14-26-15-12-20/h17H,3-15H2,1-2H3,(H,19,24)

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)=49.3137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.494 g/mol  logS: -0.65844  SlogP: 0.3776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106591  Sterimol/B1: 2.05702  Sterimol/B2: 3.2425  Sterimol/B3: 5.50457
  Sterimol/B4: 10.7265  Sterimol/L: 17.6915 
 
 Surface and Volume Properties
  Accessible surface: 689.831  Positive charged surface: 585.707  Negative charged surface: 104.125  Volume: 373.5
  Hydrophobic surface: 604.337  Hydrophilic surface: 85.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs01048771
CHEMDIV-ZINC06867021