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


PUBCHEM-ZINC05195624

 MMsINC code: MMs03222917
Type: Neutral
Formula: C15H24O2
SMILES:   O(C(=O)C1(CCC(=CC1)CCC=C(C)C)C)C
InChI:   InChI=1/C15H24O2/c1-12(2)6-5-7-13-8-10-15(3,11-9-13)14(16)17-4/h6,8H,5,7,9-11H2,1-4H3/t15-/m1/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)=46.1674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.355 g/mol  logS: -3.07494  SlogP: 4.0224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648276  Sterimol/B1: 2.18494  Sterimol/B2: 3.40028  Sterimol/B3: 3.84185
  Sterimol/B4: 6.09405  Sterimol/L: 16.1632 
 
 Surface and Volume Properties
  Accessible surface: 508.844  Positive charged surface: 377.413  Negative charged surface: 131.431  Volume: 261.75
  Hydrophobic surface: 442.314  Hydrophilic surface: 66.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.