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


NCID-ZINC01700379

 MMsINC code: MMs02330133
Type: Neutral
Formula: C10H23NO
SMILES:   OCCCCN(C(C)C)C(C)C
InChI:   InChI=1/C10H23NO/c1-9(2)11(10(3)4)7-5-6-8-12/h9-10,12H,5-8H2,1-4H3

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)=56.9921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -0.99827  SlogP: 1.8777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175779  Sterimol/B1: 2.29159  Sterimol/B2: 2.6997  Sterimol/B3: 4.76885
  Sterimol/B4: 5.88456  Sterimol/L: 12.8548 
 
 Surface and Volume Properties
  Accessible surface: 413.911  Positive charged surface: 315.26  Negative charged surface: 98.6513  Volume: 202.875
  Hydrophobic surface: 286.667  Hydrophilic surface: 127.244
 
 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


MMs02330134
NCID-ZINC01700379