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


NCID-ZINC01643513

 MMsINC code: MMs02284948
Type: Neutral
Formula: C11H22N4O4
SMILES:   OC(=O)CC(N)C(=O)NC(NC(=O)NC(C)(C)C)C
InChI:   InChI=1/C11H22N4O4/c1-6(14-10(19)15-11(2,3)4)13-9(18)7(12)5-8(16)17/h6-7H,5,12H2,1-4H3,(H,13,18)(H,16,17)(H2,14,15,19)/t6-,7-/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)=-3.04135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.321 g/mol  logS: -0.53559  SlogP: -0.6517  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0680101  Sterimol/B1: 2.04477  Sterimol/B2: 3.20082  Sterimol/B3: 3.69328
  Sterimol/B4: 7.44155  Sterimol/L: 16.1732 
 
 Surface and Volume Properties
  Accessible surface: 530.09  Positive charged surface: 368.77  Negative charged surface: 161.319  Volume: 262.125
  Hydrophobic surface: 239.895  Hydrophilic surface: 290.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  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.