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


AURORAFEINCHEMIE-ZINC02168687

 MMsINC code: MMs00451994
Type: Neutral
Formula: C4H11NO
SMILES:   O(N)C(C)(C)C
InChI:   InChI=1/C4H11NO/c1-4(2,3)6-5/h5H2,1-3H3

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)=27.8487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 89.138 g/mol  logS: -0.80073  SlogP: 0.6752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.465301  Sterimol/B1: 2.23781  Sterimol/B2: 2.36307  Sterimol/B3: 3.68896
  Sterimol/B4: 4.85713  Sterimol/L: 8.00854 
 
 Surface and Volume Properties
  Accessible surface: 269.055  Positive charged surface: 187.613  Negative charged surface: 81.4417  Volume: 103.75
  Hydrophobic surface: 151.274  Hydrophilic surface: 117.781
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.