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


PUBCHEM-ZINC06491707

 MMsINC code: MMs03765330
Type: Neutral
Formula: C15H28O2
SMILES:   OC(=O)CC(CCCC(CCC=C(C)C)C)C
InChI:   InChI=1/C15H28O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,13-14H,5-6,8-11H2,1-4H3,(H,16,17)/t13-,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)=34.3639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -5.25591  SlogP: 4.65  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480219  Sterimol/B1: 1.969  Sterimol/B2: 3.30935  Sterimol/B3: 3.46237
  Sterimol/B4: 5.50335  Sterimol/L: 18.8641 
 
 Surface and Volume Properties
  Accessible surface: 546.163  Positive charged surface: 388.19  Negative charged surface: 157.973  Volume: 277.375
  Hydrophobic surface: 404.218  Hydrophilic surface: 141.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03765331
PUBCHEM-ZINC06491707