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


PUBCHEM-ZINC05858628

 MMsINC code: MMs03421173
Type: Neutral
Formula: C10H18N2O4
SMILES:   O(CC)C1(NC(CCC(=O)N)C(O)=O)CC1
InChI:   InChI=1/C10H18N2O4/c1-2-16-10(5-6-10)12-7(9(14)15)3-4-8(11)13/h7,12H,2-6H2,1H3,(H2,11,13)(H,14,15)/t7-/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)=19.9999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.79376  SlogP: -0.1787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146733  Sterimol/B1: 2.44742  Sterimol/B2: 4.7245  Sterimol/B3: 4.89952
  Sterimol/B4: 4.90357  Sterimol/L: 13.6536 
 
 Surface and Volume Properties
  Accessible surface: 459.299  Positive charged surface: 313.607  Negative charged surface: 145.692  Volume: 222.5
  Hydrophobic surface: 202.193  Hydrophilic surface: 257.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs03421174
PUBCHEM-ZINC05858628