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


NCID-ZINC01733535

 MMsINC code: MMs02355967
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(N(CCC)CCC)CCCCCC
InChI:   InChI=1/C13H27NO/c1-4-7-8-9-10-13(15)14(11-5-2)12-6-3/h4-12H2,1-3H3

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)=4.465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -2.98509  SlogP: 3.6054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436673  Sterimol/B1: 2.88039  Sterimol/B2: 2.9652  Sterimol/B3: 4.09213
  Sterimol/B4: 6.52614  Sterimol/L: 16.2229 
 
 Surface and Volume Properties
  Accessible surface: 520.735  Positive charged surface: 404.57  Negative charged surface: 116.165  Volume: 257.75
  Hydrophobic surface: 427.391  Hydrophilic surface: 93.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.