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


NCID-ZINC05847489

 MMsINC code: MMs02507048
Type: Neutral
Formula: C16H30N4O5
SMILES:   O1CCN2CCN(CCN(CCN(CC2)CC(O)=O)CC1)CC(O)=O
InChI:   InChI=1/C16H30N4O5/c21-15(22)13-19-5-1-17-2-6-20(14-16(23)24)8-4-18(3-7-19)10-12-25-11-9-17/h1-14H2,(H,21,22)(H,23,24)

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)=405.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.439 g/mol  logS: 0.3859  SlogP: -1.5926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.53504  Sterimol/B1: 3.011  Sterimol/B2: 4.97538  Sterimol/B3: 6.00662
  Sterimol/B4: 6.4173  Sterimol/L: 11.9347 
 
 Surface and Volume Properties
  Accessible surface: 519.178  Positive charged surface: 398.392  Negative charged surface: 120.787  Volume: 323.75
  Hydrophobic surface: 303.628  Hydrophilic surface: 215.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 9  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02507049
NCID-ZINC05847489