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


NCID-ZINC01703433

 MMsINC code: MMs02332480
Type: Neutral
Formula: C10H23NO
SMILES:   OCCNC(CCCCCC)C
InChI:   InChI=1/C10H23NO/c1-3-4-5-6-7-10(2)11-8-9-12/h10-12H,3-9H2,1-2H3/t10-/m1/s1

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)=10.9842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -2.07201  SlogP: 1.9272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562096  Sterimol/B1: 2.82071  Sterimol/B2: 3.03947  Sterimol/B3: 4.15344
  Sterimol/B4: 5.66775  Sterimol/L: 13.8362 
 
 Surface and Volume Properties
  Accessible surface: 453.899  Positive charged surface: 376.376  Negative charged surface: 77.5232  Volume: 209.75
  Hydrophobic surface: 350.397  Hydrophilic surface: 103.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02332481
NCID-ZINC01703433