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


NANOSIN-ZINC01667748

 MMsINC code: MMs02199055
Type: Neutral
Formula: C13H29NO
SMILES:   O(CCCCN(CCCC)CCCC)C
InChI:   InChI=1/C13H29NO/c1-4-6-10-14(11-7-5-2)12-8-9-13-15-3/h4-13H2,1-3H3

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)=16.6644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.381 g/mol  logS: -2.12301  SlogP: 3.3152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648794  Sterimol/B1: 2.11888  Sterimol/B2: 2.55904  Sterimol/B3: 3.8582
  Sterimol/B4: 10.9053  Sterimol/L: 14.8719 
 
 Surface and Volume Properties
  Accessible surface: 549.299  Positive charged surface: 465.513  Negative charged surface: 83.7858  Volume: 265.25
  Hydrophobic surface: 490.948  Hydrophilic surface: 58.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02199056
NANOSIN-ZINC01667748