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


NCID-ZINC05463286

 MMsINC code: MMs02464440
Type: Neutral
Formula: C14H27NO
SMILES:   OC1CCCCCCC1C1NC(CCC1)C
InChI:   InChI=1/C14H27NO/c1-11-7-6-9-13(15-11)12-8-4-2-3-5-10-14(12)16/h11-16H,2-10H2,1H3/t11-,12+,13+,14+/m1/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)=92.8865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -2.61244  SlogP: 2.8483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192623  Sterimol/B1: 2.82053  Sterimol/B2: 3.33915  Sterimol/B3: 4.10378
  Sterimol/B4: 5.39776  Sterimol/L: 12.0095 
 
 Surface and Volume Properties
  Accessible surface: 442.101  Positive charged surface: 349.415  Negative charged surface: 92.686  Volume: 247.125
  Hydrophobic surface: 374.871  Hydrophilic surface: 67.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02464441
NCID-ZINC05463286