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


ASINEX-ZINC04187927

 MMsINC code: MMs00316259
Type: Neutral
Formula: C10H18N2O4
SMILES:   O1CCN(CC1)CCNC(=O)CCC(O)=O
InChI:   InChI=1/C10H18N2O4/c13-9(1-2-10(14)15)11-3-4-12-5-7-16-8-6-12/h1-8H2,(H,11,13)(H,14,15)

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)=30.093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: 0.28784  SlogP: -0.7004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319627  Sterimol/B1: 2.358  Sterimol/B2: 2.97019  Sterimol/B3: 3.17986
  Sterimol/B4: 5.14792  Sterimol/L: 16.6278 
 
 Surface and Volume Properties
  Accessible surface: 468.981  Positive charged surface: 372.084  Negative charged surface: 96.8971  Volume: 220.5
  Hydrophobic surface: 305.575  Hydrophilic surface: 163.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.