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


NCID-ZINC01576491

 MMsINC code: MMs02235060
Type: Neutral
Formula: C11H21N3O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)CN)C)CC(C)C
InChI:   InChI=1/C11H21N3O4/c1-6(2)4-8(11(17)18)14-10(16)7(3)13-9(15)5-12/h6-8H,4-5,12H2,1-3H3,(H,13,15)(H,14,16)(H,17,18)/t7-,8+/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)=58.8086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.306 g/mol  logS: -1.50951  SlogP: -0.9347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807535  Sterimol/B1: 1.969  Sterimol/B2: 3.17876  Sterimol/B3: 4.71804
  Sterimol/B4: 6.60151  Sterimol/L: 15.4915 
 
 Surface and Volume Properties
  Accessible surface: 511.544  Positive charged surface: 351.364  Negative charged surface: 160.18  Volume: 250.375
  Hydrophobic surface: 227.751  Hydrophilic surface: 283.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.