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


ASINEX-ZINC04969271

 MMsINC code: MMs00418265
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(CCNC(C(=O)N1CCCC1)C)C
InChI:   InChI=1/C10H20N2O2/c1-9(11-5-8-14-2)10(13)12-6-3-4-7-12/h9,11H,3-8H2,1-2H3/t9-/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)=47.6974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.44629  SlogP: 0.2333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0756358  Sterimol/B1: 2.28585  Sterimol/B2: 2.43403  Sterimol/B3: 4.51035
  Sterimol/B4: 5.40139  Sterimol/L: 14.6566 
 
 Surface and Volume Properties
  Accessible surface: 453.488  Positive charged surface: 378.761  Negative charged surface: 74.7265  Volume: 214.25
  Hydrophobic surface: 381.473  Hydrophilic surface: 72.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.