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


NCID-ZINC06018922

 MMsINC code: MMs02517742
Type: Neutral
Formula: C18H33N5O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N1N(CCC1)C(=O)NC(C(=O)NC(C)C)C)C
InChI:   InChI=1/C18H33N5O5/c1-11(2)19-14(24)12(3)20-16(26)23-10-8-9-22(23)15(25)13(4)21-17(27)28-18(5,6)7/h11-13H,8-10H2,1-7H3,(H,19,24)(H,20,26)(H,21,27)/t12-,13+/m1/s1

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)=84.3323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.492 g/mol  logS: -2.73988  SlogP: 0.9716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049934  Sterimol/B1: 3.98124  Sterimol/B2: 4.03069  Sterimol/B3: 4.63719
  Sterimol/B4: 6.79521  Sterimol/L: 20.9116 
 
 Surface and Volume Properties
  Accessible surface: 724.633  Positive charged surface: 523.074  Negative charged surface: 201.558  Volume: 389
  Hydrophobic surface: 469.558  Hydrophilic surface: 255.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.