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


NCID-ZINC01690515

 MMsINC code: MMs02322787
Type: Neutral
Formula: C10H16N2O4
SMILES:   O=C1NC(=O)NC1(CCCCCC)C(O)=O
InChI:   InChI=1/C10H16N2O4/c1-2-3-4-5-6-10(8(14)15)7(13)11-9(16)12-10/h2-6H2,1H3,(H,14,15)(H2,11,12,13,16)/t10-/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)=2.78946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -2.72618  SlogP: 0.6196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101898  Sterimol/B1: 3.38475  Sterimol/B2: 3.54719  Sterimol/B3: 4.34395
  Sterimol/B4: 4.49376  Sterimol/L: 13.8821 
 
 Surface and Volume Properties
  Accessible surface: 443.189  Positive charged surface: 287.298  Negative charged surface: 155.891  Volume: 210.125
  Hydrophobic surface: 198.563  Hydrophilic surface: 244.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02322788
NCID-ZINC01690515