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


NCID-ZINC05543736

 MMsINC code: MMs02473086
Type: Neutral
Formula: C8H16N2O2
SMILES:   O1C(CNC1=O)CN(CC)CC
InChI:   InChI=1/C8H16N2O2/c1-3-10(4-2)6-7-5-9-8(11)12-7/h7H,3-6H2,1-2H3,(H,9,11)/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)=19.4674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.228 g/mol  logS: -0.54108  SlogP: 0.4366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109712  Sterimol/B1: 2.15589  Sterimol/B2: 2.86453  Sterimol/B3: 3.27667
  Sterimol/B4: 6.74046  Sterimol/L: 10.668 
 
 Surface and Volume Properties
  Accessible surface: 382.709  Positive charged surface: 291.594  Negative charged surface: 91.1153  Volume: 177.625
  Hydrophobic surface: 240.894  Hydrophilic surface: 141.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02473087
NCID-ZINC05543736