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


NCID-ZINC01643520

 MMsINC code: MMs02284955
Type: Neutral
Formula: C11H20N4O5
SMILES:   O1CCN(CC1)C(=O)NC(NC(=O)C(N)CC(O)=O)C
InChI:   InChI=1/C11H20N4O5/c1-7(13-10(18)8(12)6-9(16)17)14-11(19)15-2-4-20-5-3-15/h7-8H,2-6,12H2,1H3,(H,13,18)(H,14,19)(H,16,17)/t7-,8+/m0/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)=13.3784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.304 g/mol  logS: 0.26055  SlogP: -1.7076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165477  Sterimol/B1: 2.07507  Sterimol/B2: 3.10588  Sterimol/B3: 4.54662
  Sterimol/B4: 8.71496  Sterimol/L: 12.9366 
 
 Surface and Volume Properties
  Accessible surface: 526.113  Positive charged surface: 399.345  Negative charged surface: 126.768  Volume: 262.375
  Hydrophobic surface: 283.53  Hydrophilic surface: 242.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.