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


NCID-ZINC04783306

 MMsINC code: MMs02405779
Type: Neutral
Formula: C14H28O
SMILES:   OC(CCC1C(CCC1C)(C(C)C)C)C
InChI:   InChI=1/C14H28O/c1-10(2)14(5)9-8-11(3)13(14)7-6-12(4)15/h10-13,15H,6-9H2,1-5H3/t11-,12+,13+,14-/m0/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)=78.1558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.377 g/mol  logS: -5.29435  SlogP: 3.8558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17619  Sterimol/B1: 2.38705  Sterimol/B2: 3.69657  Sterimol/B3: 3.95454
  Sterimol/B4: 6.621  Sterimol/L: 12.9831 
 
 Surface and Volume Properties
  Accessible surface: 447.251  Positive charged surface: 323.321  Negative charged surface: 123.93  Volume: 248.75
  Hydrophobic surface: 315.108  Hydrophilic surface: 132.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.