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


PUBCHEM-ZINC05766311

 MMsINC code: MMs03379523
Type: Neutral
Formula: C15H24O
SMILES:   OC(\C=C\C=1C(CCCC=1C)(C)C)(C=C)C
InChI:   InChI=1/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3/b11-9+/t15-/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)=57.2752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -4.16353  SlogP: 4.0062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164278  Sterimol/B1: 2.49991  Sterimol/B2: 3.73671  Sterimol/B3: 3.77033
  Sterimol/B4: 6.41917  Sterimol/L: 12.4165 
 
 Surface and Volume Properties
  Accessible surface: 463.453  Positive charged surface: 320.436  Negative charged surface: 143.017  Volume: 254.5
  Hydrophobic surface: 346.045  Hydrophilic surface: 117.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.