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


ACROSORGANICS-ZINC01530554

 MMsINC code: MMs00008926
Type: Neutral
Formula: C4H11NO2
SMILES:   OCCNCCO
InChI:   InChI=1/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

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)=18.3042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 105.137 g/mol  logS: 1.0476  SlogP: -1.4394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113684  Sterimol/B1: 2.18455  Sterimol/B2: 2.6593  Sterimol/B3: 2.72002
  Sterimol/B4: 3.61629  Sterimol/L: 9.58319 
 
 Surface and Volume Properties
  Accessible surface: 299.82  Positive charged surface: 260.378  Negative charged surface: 39.4421  Volume: 110.75
  Hydrophobic surface: 182.614  Hydrophilic surface: 117.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00008927
ACROSORGANICS-ZINC01530554