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


PUBCHEM-ZINC06256064

 MMsINC code: MMs03641517
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC(=O)NCC=C)CC(C)C
InChI:   InChI=1/C10H18N2O3/c1-4-5-11-10(15)12-8(9(13)14)6-7(2)3/h4,7-8H,1,5-6H2,2-3H3,(H,13,14)(H2,11,12,15)/t8-/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)=-3.23231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.65582  SlogP: 0.9709  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0922962  Sterimol/B1: 2.00488  Sterimol/B2: 3.13729  Sterimol/B3: 4.79984
  Sterimol/B4: 6.6537  Sterimol/L: 14.0906 
 
 Surface and Volume Properties
  Accessible surface: 466.804  Positive charged surface: 303.576  Negative charged surface: 163.228  Volume: 218.75
  Hydrophobic surface: 221.43  Hydrophilic surface: 245.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03641518
PUBCHEM-ZINC06256064