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


NCID-ZINC05004729

 MMsINC code: MMs02426957
Type: Neutral
Formula: C11H20N2O3
SMILES:   O=C1NC(CCCCC(C(O)=O)C)C(N1)C
InChI:   InChI=1/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7-,8+,9-/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)=9.78557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.28044  SlogP: 1.3374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779954  Sterimol/B1: 2.05192  Sterimol/B2: 3.03818  Sterimol/B3: 3.65631
  Sterimol/B4: 5.67709  Sterimol/L: 15.0027 
 
 Surface and Volume Properties
  Accessible surface: 465.458  Positive charged surface: 327.282  Negative charged surface: 138.176  Volume: 225.125
  Hydrophobic surface: 229.981  Hydrophilic surface: 235.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02426958
NCID-ZINC05004729