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


PUBCHEM-ZINC05420156

 MMsINC code: MMs03263653
Type: Neutral
Formula: C7H15NO2
SMILES:   O=C(NO)CCCCCC
InChI:   InChI=1/C7H15NO2/c1-2-3-4-5-6-7(9)8-10/h10H,2-6H2,1H3,(H,8,9)

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)=25.0214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -1.9425  SlogP: 1.4622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359414  Sterimol/B1: 2.37508  Sterimol/B2: 2.3759  Sterimol/B3: 2.9829
  Sterimol/B4: 3.02836  Sterimol/L: 14.3644 
 
 Surface and Volume Properties
  Accessible surface: 376.098  Positive charged surface: 277.346  Negative charged surface: 98.7523  Volume: 153.625
  Hydrophobic surface: 223.326  Hydrophilic surface: 152.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.