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


PUBCHEM-ZINC06120848

 MMsINC code: MMs03548677
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(NC(CC)C)C1CCCC1
InChI:   InChI=1/C10H19NO/c1-3-8(2)11-10(12)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t8-/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)=11.8274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.9586  SlogP: 2.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131862  Sterimol/B1: 1.969  Sterimol/B2: 3.45176  Sterimol/B3: 3.53567
  Sterimol/B4: 5.64438  Sterimol/L: 11.8983 
 
 Surface and Volume Properties
  Accessible surface: 402.746  Positive charged surface: 303.701  Negative charged surface: 99.0451  Volume: 193.25
  Hydrophobic surface: 333.601  Hydrophilic surface: 69.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.