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


NCID-ZINC01677403

 MMsINC code: MMs02312394
Type: Neutral
Formula: C6H14N2O2
SMILES:   OC(CC(=O)N)CN(C)C
InChI:   InChI=1/C6H14N2O2/c1-8(2)4-5(9)3-6(7)10/h5,9H,3-4H2,1-2H3,(H2,7,10)/t5-/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)=26.6424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.19 g/mol  logS: 0.55363  SlogP: -1.2157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102293  Sterimol/B1: 2.06079  Sterimol/B2: 2.71203  Sterimol/B3: 3.70485
  Sterimol/B4: 4.65664  Sterimol/L: 11.7733 
 
 Surface and Volume Properties
  Accessible surface: 346.496  Positive charged surface: 289.288  Negative charged surface: 57.2084  Volume: 149
  Hydrophobic surface: 200.951  Hydrophilic surface: 145.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02312395
NCID-ZINC01677403